Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files
xet
Community
1
cif
stringlengths
674
4.09k
formula
stringlengths
1
20
spacegroup
stringlengths
2
10
spacegroup_number
int64
1
230
crystal_system
stringclasses
7 values
pointgroup
stringlengths
1
5
density
float64
91.6
41.4k
is_longer_than_allowed
bool
2 classes
[CIF] data_HfW2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.80154593 _cell_length_b 2.80154593 _cell_length_c 7.42673192 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfW2C _chemical_formula_sum 'Hf1 W2 C1' _cell_volume 58.28989076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 0.00000000 0.00000000 3.71336596 1 W W2 1 1.40077297 1.40077297 6.12962311 1 W W3 1 1.40077297 1.40077297 1.29710881 1 [/CIF]
CHfW2
P4/mmm
123
tetragonal
4/mmm
15,901.228265
false
[CIF] data_SrCoCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21330014 _cell_length_b 3.21330014 _cell_length_c 6.67186705 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCoCu2 _chemical_formula_sum 'Sr1 Co1 Cu2' _cell_volume 68.88901410 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 0.00000000 0.00000000 0.00000000 1 Cu Cu1 1 1.60665007 1.60665007 1.18011270 1 Cu Cu2 1 1.60665007 1.60665007 5.49175435 1 Sr Sr3 1 0.00000000 0.00000000 3.33593353 1 [/CIF]
CoCu2Sr
P4/mmm
123
tetragonal
4/mmm
6,596.095801
false
[CIF] data_GePdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51466234 _cell_length_b 3.51466234 _cell_length_c 6.15182178 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GePdPb _chemical_formula_sum 'Ge1 Pd1 Pb1' _cell_volume 65.81147013 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 5.80514411 1 Pb Pb1 1 1.75733117 1.01459562 2.16554080 1 Pd Pd2 1 -0.00000000 2.02919125 4.33295865 1 [/CIF]
GePbPd
P3m1
156
trigonal
3m
9,746.018717
false
[CIF] data_Nd2AlB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03894624 _cell_length_b 5.03894624 _cell_length_c 5.03894624 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2AlB _chemical_formula_sum 'Nd2 Al1 B1' _cell_volume 90.46991387 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 3.56307306 3.56307306 3.56307306 1 B B1 1 0.00000000 0.00000000 0.00000000 1 Nd Nd2 1 1.78153653 1.78153653 1.78153653 1 Nd Nd3 1 5.34460958 5.34460958 5.34460958 1 [/CIF]
AlBNd2
Fm-3m
225
cubic
m-3m
5,988.675303
false
[CIF] data_YHg2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75521435 _cell_length_b 3.75521435 _cell_length_c 6.05311465 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHg2Rh _chemical_formula_sum 'Y1 Hg2 Rh1' _cell_volume 85.35881228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.87760718 1.87760718 1.63748065 1 Hg Hg1 1 1.87760718 1.87760718 4.41563400 1 Rh Rh2 1 0.00000000 0.00000000 3.02655733 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg2RhY
P4/mmm
123
tetragonal
4/mmm
11,535.836506
false
[CIF] data_NbCuBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29103056 _cell_length_b 3.29103056 _cell_length_c 8.63641249 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 103.81912137 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCuBi2 _chemical_formula_sum 'Nb1 Cu1 Bi2' _cell_volume 90.83241591 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.03025174 0.00000000 6.52302665 1 Bi Bi1 1 2.03025174 0.00000000 2.11338584 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Nb Nb3 1 0.00000000 0.00000000 4.31820624 1 [/CIF]
Bi2CuNb
Cmmm
65
orthorhombic
mmm
10,501.047629
false
[CIF] data_ZrTcHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57441386 _cell_length_b 4.57441386 _cell_length_c 4.57441386 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTcHg _chemical_formula_sum 'Zr1 Tc1 Hg1' _cell_volume 67.68483331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 4.85189859 4.85189859 4.85189859 1 Tc Tc1 1 1.61729953 1.61729953 1.61729953 1 Zr Zr2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgTcZr
F-43m
216
cubic
-43m
9,585.694823
false
[CIF] data_Cr2BiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33773970 _cell_length_b 4.33773970 _cell_length_c 4.33773970 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2BiB _chemical_formula_sum 'Cr2 Bi1 B1' _cell_volume 57.71324109 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 3.06724516 3.06724516 3.06724516 1 Cr Cr2 1 1.53362258 1.53362258 1.53362258 1 Cr Cr3 1 4.60086774 4.60086774 4.60086774 1 [/CIF]
BBiCr2
Fm-3m
225
cubic
m-3m
9,315.978566
false
[CIF] data_Sn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36452568 _cell_length_b 5.36452568 _cell_length_c 8.79938163 _cell_angle_alpha 111.32125434 _cell_angle_beta 111.32125434 _cell_angle_gamma 35.27654619 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2W _chemical_formula_sum 'Sn4 W2' _cell_volume 135.18338234 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 -2.25725055 0.00000000 5.53324868 1 Sn Sn1 1 6.46851310 -0.00000000 0.77549233 1 Sn Sn2 1 0.39889220 0.00000000 7.35826096 1 Sn Sn3 1 9.12465585 0.00000000 2.60050461 1 W W4 1 1.59447649 0.00000000 3.34574617 1 W W5 1 5.27292881 0.00000000 4.78800712 1 [/CIF]
Sn4W2
C2/m
12
monoclinic
2/m
10,349.181609
false
[CIF] data_Sr2AlRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77438868 _cell_length_b 3.77438868 _cell_length_c 7.52726596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2AlRh _chemical_formula_sum 'Sr2 Al1 Rh1' _cell_volume 107.23350544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Rh Rh1 1 0.00000000 0.00000000 3.76363298 1 Sr Sr2 1 1.88719434 1.88719434 5.46739990 1 Sr Sr3 1 1.88719434 1.88719434 2.05986606 1 [/CIF]
AlRhSr2
P4/mmm
123
tetragonal
4/mmm
4,725.532603
false
[CIF] data_Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42228093 _cell_length_b 2.42228093 _cell_length_c 2.42228093 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe _chemical_formula_sum Fe1 _cell_volume 10.94086449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe3
Im-3m
229
cubic
m-3m
8,486.07202
false
[CIF] data_InGeB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24076367 _cell_length_b 3.24076367 _cell_length_c 6.65506446 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.25913566 _symmetry_Int_Tables_number 1 _chemical_formula_structural InGeB2 _chemical_formula_sum 'In1 Ge1 B2' _cell_volume 62.13287544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.68704137 -0.00000000 5.31354681 1 B B1 1 1.68704137 -0.00000000 1.34151765 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 In In3 1 0.00000000 0.00000000 3.32753223 1 [/CIF]
B2GeIn
Cmmm
65
orthorhombic
mmm
5,587.790773
false
[CIF] data_SrTaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65099146 _cell_length_b 6.65099146 _cell_length_c 6.65099146 _cell_angle_alpha 148.07235591 _cell_angle_beta 148.07235591 _cell_angle_gamma 45.77856524 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTaTe _chemical_formula_sum 'Sr1 Ta1 Te1' _cell_volume 82.00903804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 0.00000000 -0.00000000 12.17749931 1 Ta Ta1 1 -0.00000000 0.00000000 3.69141786 1 Te Te2 1 0.00000000 -0.00000000 8.64020387 1 [/CIF]
SrTaTe
I4mm
107
tetragonal
4mm
8,021.70416
false
[CIF] data_La2TaCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76518290 _cell_length_b 5.76518290 _cell_length_c 3.31742686 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 99.12057051 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2TaCd _chemical_formula_sum 'La2 Ta1 Cd1' _cell_volume 108.86837213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 La La1 1 1.86978605 2.19390830 1.65871343 1 La La2 1 1.86978605 -2.19390829 1.65871343 1 Ta Ta3 1 3.73957210 -0.00000000 0.00000000 1 [/CIF]
CdLa2Ta
Cmmm
65
orthorhombic
mmm
8,711.894751
false
[CIF] data_LiLaOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95608958 _cell_length_b 2.95608958 _cell_length_c 8.35232152 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaOs2 _chemical_formula_sum 'Li1 La1 Os2' _cell_volume 72.98647432 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.47804479 1.47804479 4.05982445 1 Li Li1 1 0.00000000 0.00000000 6.76729370 1 Os Os2 1 1.47804479 1.47804479 0.08666227 1 Os Os3 1 0.00000000 0.00000000 1.61470178 1 [/CIF]
LaLiOs2
P4mm
99
tetragonal
4mm
11,974.170044
false
[CIF] data_YFeBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49103813 _cell_length_b 3.49103813 _cell_length_c 8.11478129 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFeBr2 _chemical_formula_sum 'Y1 Fe1 Br2' _cell_volume 98.89765724 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 7.69537831 1 Br Br1 1 1.74551907 1.74551907 2.82073019 1 Fe Fe2 1 0.00000000 0.00000000 3.96743700 1 Y Y3 1 1.74551907 1.74551907 5.80340772 1 [/CIF]
Br2FeY
P4mm
99
tetragonal
4mm
5,113.689066
false
[CIF] data_LiHfTlZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78704286 _cell_length_b 4.78704286 _cell_length_c 4.78704286 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHfTlZn _chemical_formula_sum 'Li1 Hf1 Tl1 Zn1' _cell_volume 77.56877814 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.38495047 3.38495047 3.38495047 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.07742571 5.07742571 5.07742571 1 Zn Zn3 1 1.69247524 1.69247523 1.69247524 1 [/CIF]
HfLiTlZn
F-43m
216
cubic
-43m
9,744.486585
false
[CIF] data_SnP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60569189 _cell_length_b 5.60569189 _cell_length_c 5.60569189 _cell_angle_alpha 83.47628211 _cell_angle_beta 83.47628211 _cell_angle_gamma 83.47628211 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnP3 _chemical_formula_sum 'Sn2 P6' _cell_volume 172.97092887 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 -2.02832717 -1.17105524 6.64312140 1 P P1 1 2.02832717 -1.17105524 6.64312140 1 P P2 1 -0.00000000 2.34211048 6.64312140 1 P P3 1 2.02832717 1.17105524 4.11292469 1 P P4 1 0.00000000 -2.34211048 4.11292469 1 P P5 1 -2.02832717 1.17105524 4.11292469 1 Sn Sn6 1 -0.00000000 -0.00000000 2.74395556 1 Sn Sn7 1 -0.00000000 0.00000000 8.01209054 1 [/CIF]
P6Sn2
R-3m
166
trigonal
-3m
4,063.365101
false
[CIF] data_Ag5Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51857444 _cell_length_b 5.51857444 _cell_length_c 5.51857444 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag5Se _chemical_formula_sum 'Ag5 Se1' _cell_volume 118.84084137 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.95111071 1.95111071 1.95111071 1 Ag Ag1 1 4.87330890 4.87330890 4.87330890 1 Ag Ag2 1 2.93113392 4.87330890 2.93113392 1 Ag Ag3 1 2.93113392 2.93113392 4.87330890 1 Ag Ag4 1 4.87330890 2.93113392 2.93113392 1 Se Se5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag5Se
F-43m
216
cubic
-43m
8,639.394955
false
[CIF] data_NbGeIrPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48303020 _cell_length_b 4.48303020 _cell_length_c 4.48303020 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbGeIrPd _chemical_formula_sum 'Nb1 Ge1 Ir1 Pd1' _cell_volume 63.70888393 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 3.16998106 3.16998106 3.16998106 1 Ir Ir1 1 1.58499053 1.58499053 1.58499053 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 4.75497159 4.75497159 4.75497159 1 [/CIF]
GeIrNbPd
F-43m
216
cubic
-43m
12,098.699412
false
[CIF] data_LiMgInAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78693479 _cell_length_b 4.78693479 _cell_length_c 4.78693479 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgInAg _chemical_formula_sum 'Li1 Mg1 In1 Ag1' _cell_volume 77.56352459 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 1.69243703 1.69243703 1.69243702 1 In In1 1 5.07731107 5.07731107 5.07731107 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 3.38487405 3.38487405 3.38487405 1 [/CIF]
AgInLiMg
F-43m
216
cubic
-43m
5,436.374128
false
[CIF] data_CuRuW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77433105 _cell_length_b 3.90851122 _cell_length_c 3.93996535 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuRuW2 _chemical_formula_sum 'Cu1 Ru1 W2' _cell_volume 58.12242895 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 1.88716552 1.95425561 0.00000000 1 W W2 1 1.88716552 0.00000000 1.96998268 1 W W3 1 0.00000000 1.95425561 1.96998268 1 [/CIF]
CuRuW2
Pmmm
47
orthorhombic
mmm
15,207.5252
false
[CIF] data_KTc2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05882912 _cell_length_b 5.05882912 _cell_length_c 2.74150684 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTc2W _chemical_formula_sum 'K1 Tc2 W1' _cell_volume 70.15996333 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 0.00000000 2.52941456 1.37075342 1 Tc Tc2 1 2.52941456 0.00000000 1.37075342 1 W W3 1 2.52941456 2.52941456 0.00000000 1 [/CIF]
KTc2W
P4/mmm
123
tetragonal
4/mmm
9,958.285915
false
[CIF] data_Mn2SiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08172652 _cell_length_b 4.08172652 _cell_length_c 2.87990473 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2SiSe _chemical_formula_sum 'Mn2 Si1 Se1' _cell_volume 47.98062794 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 2.04086326 1.43995237 1 Mn Mn1 1 2.04086326 0.00000000 1.43995237 1 Se Se2 1 2.04086326 2.04086326 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mn2SeSi
P4/mmm
123
tetragonal
4/mmm
7,507.337649
false
[CIF] data_KYTiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14406539 _cell_length_b 5.14406539 _cell_length_c 5.14406539 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KYTiPd _chemical_formula_sum 'K1 Y1 Ti1 Pd1' _cell_volume 96.25082128 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 5.45610528 5.45610528 5.45610528 1 Ti Ti2 1 3.63740352 3.63740352 3.63740352 1 Y Y3 1 1.81870176 1.81870176 1.81870176 1 [/CIF]
KPdTiY
F-43m
216
cubic
-43m
4,870.145278
false
[CIF] data_Hf2HgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.71018022 _cell_length_b 9.71018022 _cell_length_c 9.71018022 _cell_angle_alpha 18.70190467 _cell_angle_beta 18.70190467 _cell_angle_gamma 18.70190467 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2HgGe _chemical_formula_sum 'Hf2 Hg1 Ge1' _cell_volume 82.24284847 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 -0.00000000 0.00000000 21.34648531 1 Hf Hf2 1 0.00000000 0.00000000 7.26676113 1 Hg Hg3 1 -0.00000000 -0.00000000 14.30662322 1 [/CIF]
GeHf2Hg
R-3m
166
trigonal
-3m
12,724.368678
false
[CIF] data_LiYMgAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94789413 _cell_length_b 4.94789413 _cell_length_c 4.94789413 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYMgAu _chemical_formula_sum 'Li1 Y1 Mg1 Au1' _cell_volume 85.65371358 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.24803423 5.24803423 5.24803423 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 1.74934475 1.74934475 1.74934474 1 Y Y3 1 3.49868949 3.49868949 3.49868949 1 [/CIF]
AuLiMgY
F-43m
216
cubic
-43m
6,147.86565
false
[CIF] data_Ba2TeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76888572 _cell_length_b 4.76888572 _cell_length_c 6.86708599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TeRh _chemical_formula_sum 'Ba2 Te1 Rh1' _cell_volume 156.17313051 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 6.36530397 1 Ba Ba1 1 2.38444286 2.38444286 2.49008003 1 Rh Rh2 1 0.00000000 0.00000000 2.41301807 1 Te Te3 1 2.38444286 2.38444286 5.89931292 1 [/CIF]
Ba2RhTe
P4mm
99
tetragonal
4mm
5,371.28191
false
[CIF] data_TiSbRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46115357 _cell_length_b 4.46115357 _cell_length_c 4.46115357 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiSbRu2 _chemical_formula_sum 'Ti1 Sb1 Ru2' _cell_volume 62.78075329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ru Ru0 1 4.73176791 4.73176791 4.73176791 1 Ru Ru1 1 1.57725597 1.57725597 1.57725597 1 Sb Sb2 1 3.15451194 3.15451194 3.15451194 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ru2SbTi
Fm-3m
225
cubic
m-3m
9,833.166931
false
[CIF] data_TlCrTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92187152 _cell_length_b 4.92187152 _cell_length_c 4.81384955 _cell_angle_alpha 105.38735184 _cell_angle_beta 105.38735184 _cell_angle_gamma 34.92822486 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCrTc2 _chemical_formula_sum 'Tl1 Cr1 Tc2' _cell_volume 64.13258372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cr Cr0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 1.51371245 0.00000000 3.66587651 1 Tc Tc2 1 6.53723855 -0.00000000 0.95798592 1 Tl Tl3 1 4.02547550 0.00000000 2.31193122 1 [/CIF]
CrTc2Tl
C2/m
12
monoclinic
2/m
11,760.063043
false
[CIF] data_In2ReSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64355626 _cell_length_b 6.64355626 _cell_length_c 6.64355626 _cell_angle_alpha 155.31510904 _cell_angle_beta 136.79443935 _cell_angle_gamma 50.39282113 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2ReSi _chemical_formula_sum 'In2 Re1 Si1' _cell_volume 83.52236008 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.42008763 0.00000000 0.04935710 1 In In1 1 0.00000000 0.00000000 8.41387066 1 Re Re2 1 1.42008763 0.00000000 5.81418979 1 Si Si3 1 -0.00000000 0.00000000 3.75692246 1 [/CIF]
In2ReSi
Imm2
44
orthorhombic
mm2
8,825.907414
false
[CIF] data_InB8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46844163 _cell_length_b 5.46844163 _cell_length_c 5.46844163 _cell_angle_alpha 94.34085227 _cell_angle_beta 94.34085227 _cell_angle_gamma 148.06195213 _symmetry_Int_Tables_number 1 _chemical_formula_structural InB8 _chemical_formula_sum 'In1 B8' _cell_volume 83.16813050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 2.06494000 -2.06494000 1.50446467 1 B B1 1 -2.06494000 2.06494000 1.50446467 1 B B2 1 2.81588468 0.00000000 -0.00000000 1 B B3 1 2.06494000 2.06494000 1.50446467 1 B B4 1 -0.00000000 2.81588468 0.00000000 1 B B5 1 1.65261564 1.65261564 0.00000000 1 B B6 1 4.61922660 0.00000000 0.00000000 1 B B7 1 0.00000000 4.61922660 -0.00000000 1 In In8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
B8In
I4/mmm
139
tetragonal
4/mmm
4,019.285697
false
[CIF] data_BaLaCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47112275 _cell_length_b 5.47112275 _cell_length_c 5.47112275 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaCr2 _chemical_formula_sum 'Ba1 La1 Cr2' _cell_volume 115.80155181 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 1.93433400 1.93433400 1.93433400 1 Cr Cr2 1 5.80300200 5.80300200 5.80300200 1 La La3 1 3.86866800 3.86866800 3.86866800 1 [/CIF]
BaCr2La
Fm-3m
225
cubic
m-3m
5,452.240568
false
[CIF] data_Li7As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79044045 _cell_length_b 5.79044045 _cell_length_c 5.79044045 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7As _chemical_formula_sum 'Li7 As1' _cell_volume 137.28396110 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 4.09445971 4.09445971 4.09445971 1 Li Li1 1 0.00000000 2.04722986 2.04722986 1 Li Li2 1 2.04722985 2.04722986 4.09445971 1 Li Li3 1 2.04722986 0.00000000 2.04722986 1 Li Li4 1 4.09445971 2.04722985 2.04722985 1 Li Li5 1 2.04722986 2.04722985 0.00000000 1 Li Li6 1 2.04722985 4.09445971 2.04722985 1 Li Li7 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsLi7
Fm-3m
225
cubic
m-3m
1,493.917088
false
[CIF] data_Hf5Cu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49698335 _cell_length_b 6.49698335 _cell_length_c 6.49698335 _cell_angle_alpha 95.76083895 _cell_angle_beta 95.76083895 _cell_angle_gamma 143.05829751 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Cu4 _chemical_formula_sum 'Hf5 Cu4' _cell_volume 156.32977681 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 3.05901112 0.00000000 1 Cu Cu1 1 0.00000000 5.65578436 0.00000000 1 Cu Cu2 1 3.05901112 -0.00000000 0.00000000 1 Cu Cu3 1 5.65578436 0.00000000 0.00000000 1 Hf Hf4 1 0.00000000 0.00000000 0.00000000 1 Hf Hf5 1 2.86006115 2.86006115 -0.00000000 1 Hf Hf6 1 -1.49733659 1.49733659 2.05838832 1 Hf Hf7 1 1.49733659 -1.49733659 2.05838832 1 Hf Hf8 1 1.49733659 1.49733659 2.05838832 1 [/CIF]
Cu4Hf5
I4/mmm
139
tetragonal
4/mmm
12,179.576988
false
[CIF] data_BaFeSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21066042 _cell_length_b 5.21066042 _cell_length_c 5.21066042 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFeSn2 _chemical_formula_sum 'Ba1 Fe1 Sn2' _cell_volume 100.03761200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.68449332 3.68449332 3.68449332 1 Fe Fe1 1 0.00000000 -0.00000000 0.00000000 1 Sn Sn2 1 1.84224666 1.84224666 1.84224666 1 Sn Sn3 1 5.52673998 5.52673998 5.52673998 1 [/CIF]
BaFeSn2
Fm-3m
225
cubic
m-3m
7,147.460075
false
[CIF] data_Ba2HgMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86364680 _cell_length_b 5.86364680 _cell_length_c 4.00507755 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2HgMo _chemical_formula_sum 'Ba2 Hg1 Mo1' _cell_volume 137.70399330 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 2.93182340 2.00253878 1 Ba Ba1 1 2.93182340 0.00000000 2.00253878 1 Hg Hg2 1 2.93182340 2.93182340 0.00000000 1 Mo Mo3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2HgMo
P4/mmm
123
tetragonal
4/mmm
6,888.010806
false
[CIF] data_Na2LaPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48899469 _cell_length_b 5.45852977 _cell_length_c 6.79416957 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2LaPb _chemical_formula_sum 'Na2 La1 Pb1' _cell_volume 129.39347414 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 1.74449735 2.72926489 1.82692550 1 Na Na2 1 1.74449735 2.72926489 4.96724407 1 Pb Pb3 1 0.00000000 0.00000000 3.39708479 1 [/CIF]
LaNa2Pb
Pmmm
47
orthorhombic
mmm
5,031.725738
false
[CIF] data_Te2PPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88559191 _cell_length_b 4.88559191 _cell_length_c 4.88559191 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te2PPt _chemical_formula_sum 'Te2 P1 Pt1' _cell_volume 82.45871560 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 3.45463517 3.45463517 3.45463517 1 Te Te2 1 5.18195276 5.18195276 5.18195276 1 Te Te3 1 1.72731758 1.72731758 1.72731759 1 [/CIF]
PPtTe2
Fm-3m
225
cubic
m-3m
9,691.483903
false
[CIF] data_ScTi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46001996 _cell_length_b 4.46001996 _cell_length_c 4.46001996 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTi2P _chemical_formula_sum 'Sc1 Ti2 P1' _cell_volume 62.73290658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 3.15371036 3.15371036 3.15371036 1 Ti Ti2 1 1.57685518 1.57685518 1.57685518 1 Ti Ti3 1 4.73056554 4.73056554 4.73056554 1 [/CIF]
PScTi2
Fm-3m
225
cubic
m-3m
4,543.934795
false
[CIF] data_NaCdInNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73763437 _cell_length_b 4.73763437 _cell_length_c 4.73763437 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCdInNi _chemical_formula_sum 'Na1 Cd1 In1 Ni1' _cell_volume 75.19165162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 5.02502009 5.02502009 5.02502009 1 In In1 1 1.67500670 1.67500670 1.67500670 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 3.35001339 3.35001339 3.35001339 1 [/CIF]
CdInNaNi
F-43m
216
cubic
-43m
6,822.043594
false
[CIF] data_KReSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31381428 _cell_length_b 3.31381428 _cell_length_c 8.82137292 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KReSb2 _chemical_formula_sum 'K1 Re1 Sb2' _cell_volume 96.87071656 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 0.00000000 0.00000000 4.41068646 1 Sb Sb2 1 1.65690714 1.65690714 6.04905985 1 Sb Sb3 1 1.65690714 1.65690714 2.77231307 1 [/CIF]
KReSb2
P4/mmm
123
tetragonal
4/mmm
8,036.512516
false
[CIF] data_CaSiAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38966009 _cell_length_b 4.38966009 _cell_length_c 4.16948424 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaSiAg2 _chemical_formula_sum 'Ca1 Si1 Ag2' _cell_volume 80.34227443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 2.19483005 2.08474212 1 Ag Ag1 1 2.19483005 0.00000000 2.08474212 1 Ca Ca2 1 2.19483005 2.19483005 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2CaSi
P4/mmm
123
tetragonal
4/mmm
5,867.731712
false
[CIF] data_SiNi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53353431 _cell_length_b 4.53353431 _cell_length_c 4.53353431 _cell_angle_alpha 134.71314085 _cell_angle_beta 134.71314085 _cell_angle_gamma 65.97624205 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiNi2P _chemical_formula_sum 'Si1 Ni2 P1' _cell_volume 46.33730183 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 1.74538802 -0.00000000 1.90132681 1 Ni Ni1 1 0.00000000 -0.00000000 3.80265363 1 P P2 1 -0.00000000 1.74538802 1.90132681 1 Si Si3 1 -0.00000000 0.00000000 -0.00000000 1 [/CIF]
Ni2PSi
I-4m2
119
tetragonal
-42m
6,323.104012
false
[CIF] data_Zn2MoOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.67164821 _cell_length_b 2.67164821 _cell_length_c 8.20923802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2MoOs _chemical_formula_sum 'Zn2 Mo1 Os1' _cell_volume 58.59511235 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 0.00000000 0.00000000 4.10461901 1 Zn Zn2 1 1.33582410 1.33582410 6.08900208 1 Zn Zn3 1 1.33582410 1.33582410 2.12023594 1 [/CIF]
MoOsZn2
P4/mmm
123
tetragonal
4/mmm
11,816.032704
false
[CIF] data_Ga3OF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60546360 _cell_length_b 4.60546360 _cell_length_c 4.60546360 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga3OF _chemical_formula_sum 'Ga3 O1 F1' _cell_volume 97.68324143 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 0.00000000 2.30273180 0.00000000 1 Ga Ga2 1 0.00000000 0.00000000 2.30273180 1 Ga Ga3 1 2.30273180 0.00000000 0.00000000 1 F F4 1 2.30273180 2.30273180 2.30273180 1 [/CIF]
FGa3O
Pm-3m
221
cubic
m-3m
4,150.645592
false
[CIF] data_HfSc2Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94583670 _cell_length_b 4.94583670 _cell_length_c 4.94583670 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc2Nb _chemical_formula_sum 'Hf1 Sc2 Nb1' _cell_volume 85.54690879 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 5.24585201 5.24585201 5.24585201 1 Nb Nb1 1 3.49723467 3.49723467 3.49723467 1 Sc Sc2 1 1.74861733 1.74861733 1.74861733 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfNbSc2
F-43m
216
cubic
-43m
7,013.30295
false
[CIF] data_SnBSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21423497 _cell_length_b 3.21423497 _cell_length_c 7.34833090 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnBSe _chemical_formula_sum 'Sn1 B1 Se1' _cell_volume 65.74679413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.42308272 1 Se Se1 1 0.00000000 1.85573943 1.39304043 1 Sn Sn2 1 1.60711749 0.92786971 5.53220775 1 [/CIF]
BSeSn
P3m1
156
trigonal
3m
5,265.516735
false
[CIF] data_KMnSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96354451 _cell_length_b 4.96354451 _cell_length_c 4.96354451 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMnSnPd _chemical_formula_sum 'K1 Mn1 Sn1 Pd1' _cell_volume 86.46906515 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Mn Mn1 1 5.26463397 5.26463397 5.26463397 1 Pd Pd2 1 1.75487799 1.75487799 1.75487799 1 Sn Sn3 1 3.50975598 3.50975598 3.50975598 1 [/CIF]
KMnPdSn
F-43m
216
cubic
-43m
6,129.22302
false
[CIF] data_ScTeW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42822757 _cell_length_b 3.42822757 _cell_length_c 6.48718763 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTeW2 _chemical_formula_sum 'Sc1 Te1 W2' _cell_volume 76.24225726 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.00000000 0.00000000 3.16091837 1 Te Te1 1 1.71411378 1.71411378 4.87549834 1 W W2 1 0.00000000 0.00000000 0.19109360 1 W W3 1 1.71411378 1.71411378 1.50327112 1 [/CIF]
ScTeW2
P4mm
99
tetragonal
4mm
11,766.215604
false
[CIF] data_YRu2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41206734 _cell_length_b 3.41206734 _cell_length_c 6.59825280 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRu2Pb _chemical_formula_sum 'Y1 Ru2 Pb1' _cell_volume 76.81820206 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb0 1 0.00000000 0.00000000 3.29912640 1 Ru Ru1 1 1.70603367 1.70603367 4.84485745 1 Ru Ru2 1 1.70603367 1.70603367 1.75339535 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbRu2Y
P4/mmm
123
tetragonal
4/mmm
10,770.321051
false
[CIF] data_KZrAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23010122 _cell_length_b 5.39531990 _cell_length_c 5.96704553 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.24135925 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrAu2 _chemical_formula_sum 'K1 Zr1 Au2' _cell_volume 102.33344222 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00042685 0.00000000 0.01316949 1 Au Au1 1 2.16021497 2.69765995 1.46496587 1 K K2 1 1.08519869 0.00000000 2.94320633 1 Zr Zr3 1 0.00879748 2.69765995 4.38662182 1 [/CIF]
Au2KZr
Pm
6
monoclinic
m
8,506.961329
false
[CIF] data_LaAsBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36361332 _cell_length_b 5.36361332 _cell_length_c 5.36361332 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAsBr2 _chemical_formula_sum 'La1 As1 Br2' _cell_volume 109.10819821 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 0.00000000 0.00000000 0.00000000 1 Br Br1 1 3.79264735 3.79264735 3.79264735 1 Br Br2 1 1.89632368 1.89632368 1.89632367 1 La La3 1 5.68897103 5.68897103 5.68897103 1 [/CIF]
AsBr2La
F-43m
216
cubic
-43m
5,686.425407
false
[CIF] data_ZrZn2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22563556 _cell_length_b 5.22563556 _cell_length_c 2.67836958 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.50575474 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrZn2Cu _chemical_formula_sum 'Zr1 Zn2 Cu1' _cell_volume 67.06988446 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Zn Zn1 1 1.43248056 2.18513528 1.33918479 1 Zn Zn2 1 1.43248056 -2.18513528 1.33918479 1 Zr Zr3 1 2.86496113 -0.00000000 0.00000000 1 [/CIF]
CuZn2Zr
Cmmm
65
orthorhombic
mmm
7,069.24909
false
[CIF] data_MgBRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77656009 _cell_length_b 3.77656009 _cell_length_c 3.77656009 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBRu _chemical_formula_sum 'Mg1 B1 Ru1' _cell_volume 38.08677501 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 4.00564688 4.00564688 4.00564688 1 Ru Ru2 1 1.33521563 1.33521563 1.33521563 1 [/CIF]
BMgRu
F-43m
216
cubic
-43m
5,937.551113
false
[CIF] data_NiGeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35497972 _cell_length_b 4.35497972 _cell_length_c 5.15344624 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiGeP _chemical_formula_sum 'Ni2 Ge2 P2' _cell_volume 84.64487256 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 2.17748986 1.25717436 1.28836156 1 Ge Ge1 1 0.00000000 2.51434871 3.86508468 1 Ni Ni2 1 0.00000000 0.00000000 2.57672312 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 P P4 1 2.17748986 1.25717436 3.86508468 1 P P5 1 0.00000000 2.51434871 1.28836156 1 [/CIF]
Ge2Ni2P2
P6_3/mmc
194
hexagonal
6/mmm
6,368.191602
false
[CIF] data_TlVCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26429074 _cell_length_b 4.26429074 _cell_length_c 4.26429074 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlVCo _chemical_formula_sum 'Tl1 V1 Co1' _cell_volume 54.83090630 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 4.52296335 4.52296335 4.52296335 1 Tl Tl1 1 1.50765445 1.50765445 1.50765445 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoTlV
F-43m
216
cubic
-43m
9,517.217805
false
[CIF] data_HfBiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26931693 _cell_length_b 5.26931693 _cell_length_c 3.73005903 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfBiSb2 _chemical_formula_sum 'Hf1 Bi1 Sb2' _cell_volume 103.56770340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.63465846 2.63465846 0.00000000 1 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 0.00000000 2.63465846 1.86502952 1 Sb Sb3 1 2.63465846 0.00000000 1.86502952 1 [/CIF]
BiHfSb2
P4/mmm
123
tetragonal
4/mmm
10,116.901075
false
[CIF] data_ZrPt2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64422104 _cell_length_b 4.64422104 _cell_length_c 4.64422104 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPt2Au _chemical_formula_sum 'Zr1 Pt2 Au1' _cell_volume 70.83104462 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.28396019 3.28396019 3.28396019 1 Pt Pt1 1 1.64198010 1.64198010 1.64198010 1 Pt Pt2 1 4.92594029 4.92594029 4.92594029 1 Zr Zr3 1 0.00000000 -0.00000000 0.00000000 1 [/CIF]
AuPt2Zr
Fm-3m
225
cubic
m-3m
15,903.208983
false
[CIF] data_SrCa7TiMn7O21 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78018132 _cell_length_b 7.78281059 _cell_length_c 7.79740001 _cell_angle_alpha 90.51322329 _cell_angle_beta 90.16845257 _cell_angle_gamma 90.25622426 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCa7TiMn7O21 _chemical_formula_sum 'Sr1 Ca7 Ti1 Mn7 O21' _cell_volume 472.11989217 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sr Sr0 1 5.78374275 5.77373471 1.89562691 1 Ca Ca1 1 5.88749628 2.10230692 2.26431233 1 Ca Ca2 1 2.04889102 5.94768810 1.85562764 1 Ca Ca3 1 1.93156374 2.22077360 2.26213235 1 Ca Ca4 1 5.73341342 5.48395932 5.88582368 1 Ca Ca5 1 5.64406994 1.98144655 5.83872036 1 Ca Ca6 1 2.01023659 5.78748010 5.65348165 1 Ca Ca7 1 1.90842835 2.28513994 5.94112334 1 Ti Ti8 1 0.04321128 0.17213632 0.07024380 1 Mn Mn9 1 -0.01658871 3.77844862 0.00794247 1 Mn Mn10 1 3.81705113 7.57092143 7.69923574 1 Mn Mn11 1 3.86451204 3.80238166 0.04992694 1 Mn Mn12 1 -0.00106913 0.09556228 3.90330104 1 Mn Mn13 1 -0.00726468 4.03411341 3.98205049 1 Mn Mn14 1 3.85976766 0.07354828 3.92944012 1 Mn Mn15 1 3.83532865 3.78389348 3.94458254 1 O O16 1 7.66458201 1.71436368 7.05734299 1 O O17 1 3.81974432 5.71275895 0.34372137 1 O O18 1 3.87349190 1.72400669 7.40513754 1 O O19 1 7.29575949 5.98720156 4.00448573 1 O O20 1 0.37214595 2.04343738 4.09790300 1 O O21 1 3.43552644 1.94791245 4.17383764 1 O O22 1 0.06994743 0.42980727 1.85483374 1 O O23 1 7.51816008 3.87007399 1.97163320 1 O O24 1 3.87192353 0.00277625 1.96235938 1 O O25 1 4.13008234 3.60323215 2.02632695 1 O O26 1 0.26852837 4.25442215 5.93665672 1 O O27 1 3.99553119 7.15547994 5.70902739 1 O O28 1 3.61149398 4.09495810 5.85075909 1 O O29 1 6.25592604 6.94665119 7.55201772 1 O O30 1 5.80667013 3.80180103 7.56215926 1 O O31 1 1.58495996 7.09985892 7.49894427 1 O O32 1 1.90597492 3.66491335 0.33405193 1 O O33 1 5.82096231 0.48734277 3.95224221 1 O O34 1 5.72075811 3.68207985 4.19248429 1 O O35 1 1.91276723 7.37861170 3.91155945 1 O O36 1 2.05635194 4.39109320 3.61368023 1 [/CIF]
Ca7Mn7O21SrTi
P1
1
triclinic
1
3,997.600343
false
[CIF] data_SrInPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43786387 _cell_length_b 4.17556491 _cell_length_c 6.18340277 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrInPd2 _chemical_formula_sum 'Sr1 In1 Pd2' _cell_volume 88.76289356 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.71893194 2.08778246 5.04301554 1 Pd Pd1 1 0.00000000 0.00000000 6.01355793 1 Pd Pd2 1 1.71893194 2.08778246 1.51559332 1 Sr Sr3 1 0.00000000 0.00000000 2.88634013 1 [/CIF]
InPd2Sr
Pmm2
25
orthorhombic
mm2
7,768.847035
false
[CIF] data_Ca5Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22433284 _cell_length_b 7.22433284 _cell_length_c 7.22433284 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5Br _chemical_formula_sum 'Ca5 Br1' _cell_volume 266.61110927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 7.66256211 7.66256211 7.66256211 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Ca Ca2 1 3.81932000 3.81932000 3.81932000 1 Ca Ca3 1 6.39742948 3.81932000 6.39742948 1 Ca Ca4 1 6.39742948 6.39742948 3.81932000 1 Ca Ca5 1 3.81932000 6.39742948 6.39742948 1 [/CIF]
BrCa5
F-43m
216
cubic
-43m
1,745.760476
false
[CIF] data_Tm2VCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89735567 _cell_length_b 4.89735567 _cell_length_c 4.89735567 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2VCu _chemical_formula_sum 'Tm2 V1 Cu1' _cell_volume 83.05579503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 3.46295341 3.46295341 3.46295341 1 Tm Tm1 1 1.73147670 1.73147670 1.73147670 1 Tm Tm2 1 5.19443011 5.19443011 5.19443011 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuTm2V
Fm-3m
225
cubic
m-3m
9,043.976725
false
[CIF] data_W2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14783920 _cell_length_b 6.14783920 _cell_length_c 6.14783920 _cell_angle_alpha 150.35435190 _cell_angle_beta 150.35435190 _cell_angle_gamma 42.42150075 _symmetry_Int_Tables_number 1 _chemical_formula_structural W2Br _chemical_formula_sum 'W2 Br1' _cell_volume 56.71116430 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 0.00000000 -0.00000000 7.89942480 1 W W2 1 -0.00000000 0.00000000 3.56329434 1 [/CIF]
BrW2
I4/mmm
139
tetragonal
4/mmm
13,105.545033
false
[CIF] data_ZrRe3Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86181362 _cell_length_b 4.86181362 _cell_length_c 4.86181362 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrRe3Te _chemical_formula_sum 'Zr1 Re3 Te1' _cell_volume 114.91981490 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 0.00000000 2.43090681 0.00000000 1 Re Re1 1 0.00000000 0.00000000 2.43090681 1 Re Re2 1 2.43090681 0.00000000 0.00000000 1 Te Te3 1 2.43090681 2.43090681 2.43090681 1 Zr Zr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Re3TeZr
Pm-3m
221
cubic
m-3m
11,233.726714
false
[CIF] data_LiGe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27486817 _cell_length_b 3.27486817 _cell_length_c 5.63942660 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiGe2Mo _chemical_formula_sum 'Li1 Ge2 Mo1' _cell_volume 60.48150546 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.63743408 1.63743408 4.23282773 1 Ge Ge1 1 1.63743408 1.63743408 1.40659887 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Mo Mo3 1 0.00000000 0.00000000 2.81971330 1 [/CIF]
Ge2LiMo
P4/mmm
123
tetragonal
4/mmm
6,814.129666
false
[CIF] data_SrTlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98521555 _cell_length_b 4.98521555 _cell_length_c 4.98521555 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTlPt _chemical_formula_sum 'Sr1 Tl1 Pt1' _cell_volume 87.60659981 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 3.52507972 3.52507972 3.52507972 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.76253986 1.76253986 1.76253986 1 [/CIF]
PtSrTl
F-43m
216
cubic
-43m
9,232.494952
false
[CIF] data_Li2ZnCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35890970 _cell_length_b 3.46738183 _cell_length_c 7.26533664 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ZnCl _chemical_formula_sum 'Li2 Zn1 Cl1' _cell_volume 84.61663291 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 6.71235756 1 Li Li1 1 1.67945485 1.73369092 6.48547373 1 Li Li2 1 0.00000000 0.00000000 1.86780115 1 Zn Zn3 1 1.67945485 1.73369092 3.09770909 1 [/CIF]
ClLi2Zn
Pmm2
25
orthorhombic
mm2
2,251.197341
false
[CIF] data_HfVPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67203441 _cell_length_b 4.67203441 _cell_length_c 4.67203441 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfVPb _chemical_formula_sum 'Hf1 V1 Pb1' _cell_volume 72.11126250 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 4.95544082 4.95544082 4.95544082 1 Pb Pb1 1 1.65181361 1.65181361 1.65181361 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfPbV
F-43m
216
cubic
-43m
10,054.513516
false
[CIF] data_MgSn2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.27210044 _cell_length_b 10.27210044 _cell_length_c 10.27210044 _cell_angle_alpha 18.67529009 _cell_angle_beta 18.67529009 _cell_angle_gamma 18.67529009 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSn2Ge _chemical_formula_sum 'Mg1 Sn2 Ge1' _cell_volume 97.09355401 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 14.99632864 1 Mg Mg1 1 -0.00000000 0.00000000 22.89982802 1 Sn Sn2 1 0.00000000 0.00000000 0.20392384 1 Sn Sn3 1 0.00000000 -0.00000000 7.30586183 1 [/CIF]
GeMgSn2
R3m
160
trigonal
3m
5,718.465562
false
[CIF] data_MgCd2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13378850 _cell_length_b 5.13378850 _cell_length_c 3.05738380 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.88485549 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCd2Pt _chemical_formula_sum 'Mg1 Cd2 Pt1' _cell_volume 75.28555667 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 1.45602983 -2.11398279 1.52869190 1 Cd Cd1 1 1.45602983 2.11398278 1.52869190 1 Mg Mg2 1 -0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 2.91205966 0.00000000 0.00000000 1 [/CIF]
Cd2MgPt
Cmmm
65
orthorhombic
mmm
9,797.758719
false
[CIF] data_Sn2BMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27792190 _cell_length_b 5.27792190 _cell_length_c 5.27792190 _cell_angle_alpha 135.63519231 _cell_angle_beta 135.63519231 _cell_angle_gamma 64.54484065 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2BMo _chemical_formula_sum 'Sn2 B1 Mo1' _cell_volume 70.88199683 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 1.99271332 0.00000000 2.23129149 1 Sn Sn2 1 0.00000000 -0.00000000 4.46258298 1 Sn Sn3 1 0.00000000 1.99271332 2.23129149 1 [/CIF]
BMoSn2
I-4m2
119
tetragonal
-42m
8,063.297134
false
[CIF] data_CdIr2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35935394 _cell_length_b 3.35935394 _cell_length_c 6.43604788 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdIr2Pb _chemical_formula_sum 'Cd1 Ir2 Pb1' _cell_volume 72.63246658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 0.00000000 0.00000000 0.00000000 1 Ir Ir1 1 1.67967697 1.67967697 1.59307290 1 Ir Ir2 1 1.67967697 1.67967697 4.84297498 1 Pb Pb3 1 0.00000000 0.00000000 3.21802394 1 [/CIF]
CdIr2Pb
P4/mmm
123
tetragonal
4/mmm
16,096.028156
false
[CIF] data_Sc2ReNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51888587 _cell_length_b 4.51888587 _cell_length_c 4.51888587 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2ReNi _chemical_formula_sum 'Sc2 Re1 Ni1' _cell_volume 65.24979023 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 3.19533484 3.19533484 3.19533484 1 Re Re1 1 4.79300226 4.79300226 4.79300226 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Sc Sc3 1 1.59766742 1.59766742 1.59766742 1 [/CIF]
NiReSc2
F-43m
216
cubic
-43m
8,520.62169
false
[CIF] data_La3NiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44818226 _cell_length_b 5.44818226 _cell_length_c 5.44818226 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3NiBi _chemical_formula_sum 'La3 Ni1 Bi1' _cell_volume 161.71670475 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 2.72409113 2.72409113 2.72409113 1 La La2 1 0.00000000 2.72409113 0.00000000 1 La La3 1 0.00000000 0.00000000 2.72409113 1 La La4 1 2.72409113 0.00000000 0.00000000 1 [/CIF]
BiLa3Ni
Pm-3m
221
cubic
m-3m
7,027.453857
false
[CIF] data_VReAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78190171 _cell_length_b 2.78190171 _cell_length_c 8.30375329 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VReAu2 _chemical_formula_sum 'V1 Re1 Au2' _cell_volume 64.26255676 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.39095086 1.39095086 8.14195242 1 Au Au1 1 0.00000000 0.00000000 2.16785946 1 Re Re2 1 1.39095086 1.39095086 4.30667098 1 V V3 1 0.00000000 0.00000000 6.14290037 1 [/CIF]
Au2ReV
P4mm
99
tetragonal
4mm
16,307.096496
false
[CIF] data_BiMoPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12883854 _cell_length_b 4.12883854 _cell_length_c 4.21180561 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiMoPd2 _chemical_formula_sum 'Bi1 Mo1 Pd2' _cell_volume 71.79994616 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 2.06441927 2.06441927 0.00000000 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 0.00000000 2.06441927 2.10590280 1 Pd Pd3 1 2.06441927 0.00000000 2.10590280 1 [/CIF]
BiMoPd2
P4/mmm
123
tetragonal
4/mmm
11,974.863883
false
[CIF] data_Cs2MgAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25865586 _cell_length_b 6.25865586 _cell_length_c 6.25865586 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2MgAs _chemical_formula_sum 'Cs2 Mg1 As1' _cell_volume 173.35174519 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As As0 1 4.42553800 4.42553800 4.42553800 1 Cs Cs1 1 6.63830700 6.63830700 6.63830700 1 Cs Cs2 1 2.21276900 2.21276900 2.21276900 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsCs2Mg
Fm-3m
225
cubic
m-3m
3,496.699933
false
[CIF] data_BaZr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29903888 _cell_length_b 3.46944910 _cell_length_c 9.08983795 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZr2Os _chemical_formula_sum 'Ba1 Zr2 Os1' _cell_volume 104.04089873 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 0.00000000 1 Os Os1 1 0.00000000 0.00000000 4.54491897 1 Zr Zr2 1 1.64951944 1.73472455 6.05842553 1 Zr Zr3 1 1.64951944 1.73472455 3.03141242 1 [/CIF]
BaOsZr2
Pmmm
47
orthorhombic
mmm
8,139.906873
false
[CIF] data_ZrNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32294241 _cell_length_b 5.32294241 _cell_length_c 4.29951852 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNi3 _chemical_formula_sum 'Zr2 Ni6' _cell_volume 105.50037177 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 2.66147120 3.16920348 1.07487963 1 Ni Ni1 1 0.00000000 1.44059987 3.22463889 1 Ni Ni2 1 1.24759609 0.72029994 1.07487963 1 Ni Ni3 1 1.41387512 3.88950341 3.22463889 1 Ni Ni4 1 -1.41387512 3.88950341 3.22463889 1 Ni Ni5 1 4.07534632 0.72029994 1.07487963 1 Zr Zr6 1 0.00000000 3.07320223 1.07487963 1 Zr Zr7 1 2.66147120 1.53660112 3.22463889 1 [/CIF]
Ni6Zr2
P6_3/mmc
194
hexagonal
6/mmm
8,413.077266
false
[CIF] data_ScNiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95009803 _cell_length_b 4.95009803 _cell_length_c 4.95009803 _cell_angle_alpha 146.95556801 _cell_angle_beta 146.95556801 _cell_angle_gamma 47.42957553 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNiB _chemical_formula_sum 'Sc1 Ni1 B1' _cell_volume 35.92588055 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 -0.00000000 0.00000000 8.74259457 1 Ni Ni1 1 -0.00000000 0.00000000 3.42418767 1 Sc Sc2 1 0.00000000 0.00000000 5.96164135 1 [/CIF]
BNiSc
I4mm
107
tetragonal
4mm
5,290.505987
false
[CIF] data_TlAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94721129 _cell_length_b 4.91653223 _cell_length_c 8.91515535 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlAu2 _chemical_formula_sum 'Tl4 Au8' _cell_volume 260.67607549 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.73501712 1.22913306 1.82747704 1 Au Au1 1 1.23858853 3.68739917 6.28505472 1 Au Au2 1 4.70862276 1.22913306 2.63010063 1 Au Au3 1 4.21219417 3.68739917 7.08767831 1 Au Au4 1 3.75472718 1.22913306 8.75364207 1 Au Au5 1 5.16608975 3.68739917 4.29606439 1 Au Au6 1 0.78112154 1.22913306 4.61909096 1 Au Au7 1 2.19248411 3.68739917 0.16151328 1 Tl Tl8 1 0.59993124 1.22913306 7.78302735 1 Tl Tl9 1 2.37367440 3.68739917 3.32544967 1 Tl Tl10 1 3.57353689 1.22913306 5.58970568 1 Tl Tl11 1 5.34728005 3.68739917 1.13212800 1 [/CIF]
Au8Tl4
Pnma
62
orthorhombic
mmm
15,245.400908
false
[CIF] data_ZnTcW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48940139 _cell_length_b 4.48940139 _cell_length_c 4.48940139 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTcW3 _chemical_formula_sum 'Zn1 Tc1 W3' _cell_volume 90.48264971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zn Zn0 1 0.00000000 0.00000000 0.00000000 1 Tc Tc1 1 2.24470070 2.24470070 2.24470070 1 W W2 1 0.00000000 2.24470070 0.00000000 1 W W3 1 0.00000000 0.00000000 2.24470070 1 W W4 1 2.24470070 0.00000000 0.00000000 1 [/CIF]
TcW3Zn
Pm-3m
221
cubic
m-3m
13,136.487083
false
[CIF] data_Sb2PtCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74135617 _cell_length_b 3.74135617 _cell_length_c 8.12530618 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sb2PtCl _chemical_formula_sum 'Sb2 Pt1 Cl1' _cell_volume 113.73597201 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl Cl0 1 0.00000000 0.00000000 4.36559522 1 Pt Pt1 1 1.87067808 1.87067808 7.29995903 1 Sb Sb2 1 0.00000000 0.00000000 6.84596128 1 Sb Sb3 1 1.87067808 1.87067808 1.80174992 1 [/CIF]
ClPtSb2
P4mm
99
tetragonal
4mm
6,921.206672
false
[CIF] data_BPd2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14737768 _cell_length_b 3.18294999 _cell_length_c 5.50958801 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.12825350 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BPd2Pb _chemical_formula_sum 'B1 Pd2 Pb1' _cell_volume 70.53149771 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 1.40126224 0.00000000 2.67146635 1 Pd Pd2 1 3.19714274 1.59147500 0.96089129 1 Pd Pd3 1 -0.39461826 1.59147500 4.38204142 1 [/CIF]
BPbPd2
P2/m
10
monoclinic
2/m
10,143.622928
false
[CIF] data_La _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76798466 _cell_length_b 3.76798466 _cell_length_c 6.07930496 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La _chemical_formula_sum La2 _cell_volume 74.74855712 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 -0.00000000 2.17544696 1.51982624 1 La La1 1 1.88399233 1.08772348 4.55947872 1 [/CIF]
La2
P6_3/mmc
194
hexagonal
6/mmm
6,171.569548
false
[CIF] data_NaTiGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98731801 _cell_length_b 4.98731801 _cell_length_c 4.98731801 _cell_angle_alpha 130.34214878 _cell_angle_beta 130.34214878 _cell_angle_gamma 72.86037312 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTiGe2 _chemical_formula_sum 'Na1 Ti1 Ge2' _cell_volume 70.39536436 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 -0.00000000 2.09422629 2.00635076 1 Ge Ge1 1 2.09422629 -0.00000000 2.00635076 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 4.01270151 1 [/CIF]
Ge2NaTi
I4/mmm
139
tetragonal
4/mmm
5,098.397492
false
[CIF] data_NbV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63272365 _cell_length_b 8.63272365 _cell_length_c 8.63272365 _cell_angle_alpha 157.44942366 _cell_angle_beta 157.44942366 _cell_angle_gamma 32.10422455 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbV2 _chemical_formula_sum 'Nb2 V4' _cell_volume 94.54274455 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 -0.00000000 1.68789762 4.14806946 1 V V2 1 1.68789762 -0.00000000 2.88273828 1 V V3 1 1.68789762 -0.00000000 5.41340063 1 V V4 1 0.00000000 -0.00000000 7.03080774 1 V V5 1 0.00000000 -0.00000000 9.56147008 1 [/CIF]
Nb2V4
I4_1/amd
141
tetragonal
4/mmm
6,842.521375
false
[CIF] data_LiNbCd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66630571 _cell_length_b 5.66630571 _cell_length_c 5.66630571 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNbCd4 _chemical_formula_sum 'Li1 Nb1 Cd4' _cell_volume 128.64265880 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.00708331 3.00708331 5.00628307 1 Cd Cd1 1 3.00708331 5.00628307 3.00708331 1 Cd Cd2 1 5.00628307 3.00708331 3.00708331 1 Cd Cd3 1 5.00628307 5.00628307 5.00628307 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 Nb Nb5 1 2.00334160 2.00334160 2.00334160 1 [/CIF]
Cd4LiNb
F-43m
216
cubic
-43m
7,092.918568
false
[CIF] data_KNaW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66748574 _cell_length_b 2.66748574 _cell_length_c 11.84506961 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNaW2 _chemical_formula_sum 'K1 Na1 W2' _cell_volume 84.28335796 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 5.92253480 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.33374287 1.33374287 2.78341925 1 W W3 1 1.33374287 1.33374287 9.06165036 1 [/CIF]
KNaW2
P4/mmm
123
tetragonal
4/mmm
8,467.231087
false
[CIF] data_MgTaSnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94185114 _cell_length_b 4.94185114 _cell_length_c 4.94185114 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaSnHg _chemical_formula_sum 'Mg1 Ta1 Sn1 Hg1' _cell_volume 85.34026342 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.74720823 1.74720822 1.74720822 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 3.49441645 3.49441645 3.49441645 1 Ta Ta3 1 5.24162467 5.24162468 5.24162468 1 [/CIF]
HgMgSnTa
F-43m
216
cubic
-43m
10,206.677538
false
[CIF] data_Li2BiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55315515 _cell_length_b 4.55315515 _cell_length_c 4.55315515 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2BiOs _chemical_formula_sum 'Li2 Bi1 Os1' _cell_volume 66.74555506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.60978344 1.60978344 1.60978344 1 Li Li1 1 4.82935032 4.82935032 4.82935032 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 3.21956688 3.21956688 3.21956688 1 [/CIF]
BiLi2Os
F-43m
216
cubic
-43m
10,277.179772
false
[CIF] data_YZrCrCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59773088 _cell_length_b 4.59773088 _cell_length_c 4.59773088 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrCrCo _chemical_formula_sum 'Y1 Zr1 Cr1 Co1' _cell_volume 68.72514137 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 4.87663002 4.87663002 4.87663002 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 Y Y2 1 3.25108668 3.25108668 3.25108668 1 Zr Zr3 1 1.62554334 1.62554334 1.62554334 1 [/CIF]
CoCrYZr
F-43m
216
cubic
-43m
7,032.580382
false
[CIF] data_AlCrReRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28145589 _cell_length_b 4.28145589 _cell_length_c 4.28145589 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCrReRu _chemical_formula_sum 'Al1 Cr1 Re1 Ru1' _cell_volume 55.49571139 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 4.54116974 4.54116974 4.54116974 1 Re Re2 1 1.51372324 1.51372324 1.51372324 1 Ru Ru3 1 3.02744649 3.02744649 3.02744649 1 [/CIF]
AlCrReRu
F-43m
216
cubic
-43m
10,959.047474
false
[CIF] data_ZrAl2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48509502 _cell_length_b 5.48509502 _cell_length_c 5.48509502 _cell_angle_alpha 137.63032554 _cell_angle_beta 135.96060000 _cell_angle_gamma 62.76287870 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAl2Cd _chemical_formula_sum 'Zr1 Al2 Cd1' _cell_volume 76.35438787 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 1.98219172 -0.00000000 0.01890026 1 Al Al1 1 0.00000000 -0.00000000 2.33991950 1 Cd Cd2 1 1.98219172 -0.00000000 4.66294680 1 Zr Zr3 1 -0.00000000 -0.00000000 7.02643159 1 [/CIF]
Al2CdZr
Imm2
44
orthorhombic
mm2
5,602.190231
false
[CIF] data_NaHgGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31820862 _cell_length_b 5.31820862 _cell_length_c 5.31820862 _cell_angle_alpha 130.14463877 _cell_angle_beta 130.14463877 _cell_angle_gamma 73.17564166 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHgGe2 _chemical_formula_sum 'Na1 Hg1 Ge2' _cell_volume 85.81890848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 2.24148652 -0.00000000 2.13511237 1 Ge Ge1 1 0.00000000 -0.00000000 4.27022474 1 Hg Hg2 1 -0.00000000 2.24148652 2.13511237 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge2HgNa
I-4m2
119
tetragonal
-42m
7,137.192348
false
[CIF] data_MgScRuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74970376 _cell_length_b 4.74970376 _cell_length_c 4.74970376 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgScRuPb _chemical_formula_sum 'Mg1 Sc1 Ru1 Pb1' _cell_volume 75.76778191 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 3.35854774 3.35854774 3.35854774 1 Ru Ru2 1 5.03782161 5.03782161 5.03782161 1 Sc Sc3 1 1.67927387 1.67927387 1.67927387 1 [/CIF]
MgPbRuSc
F-43m
216
cubic
-43m
8,274.029046
false
[CIF] data_LiCo2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39927464 _cell_length_b 4.39927464 _cell_length_c 4.39927464 _cell_angle_alpha 132.16606741 _cell_angle_beta 132.16606741 _cell_angle_gamma 69.96686760 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCo2Ru _chemical_formula_sum 'Li1 Co2 Ru1' _cell_volume 45.86162780 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 -0.00000000 0.00000000 3.60440424 1 Co Co1 1 0.00000000 1.78352003 1.80220212 1 Li Li2 1 -0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 1.78352003 -0.00000000 1.80220212 1 [/CIF]
Co2LiRu
I-4m2
119
tetragonal
-42m
8,178.476176
false
[CIF] data_TaBeBiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68116528 _cell_length_b 4.68116528 _cell_length_c 4.68116528 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBeBiPd _chemical_formula_sum 'Ta1 Be1 Bi1 Pd1' _cell_volume 72.53488495 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 1.65504185 1.65504185 1.65504185 1 Pd Pd2 1 3.31008371 3.31008371 3.31008371 1 Ta Ta3 1 4.96512556 4.96512556 4.96512557 1 [/CIF]
BeBiPdTa
F-43m
216
cubic
-43m
11,569.202742
false
[CIF] data_BaSiHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85800429 _cell_length_b 5.85800429 _cell_length_c 5.85800429 _cell_angle_alpha 135.76304460 _cell_angle_beta 121.48681157 _cell_angle_gamma 76.18645212 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSiHg2 _chemical_formula_sum 'Ba1 Si1 Hg2' _cell_volume 116.45049067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.00000000 0.00000000 4.61029605 1 Hg Hg1 1 2.20567362 0.00000000 1.88392611 1 Hg Hg2 1 0.00000000 2.86293355 2.72636994 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaHg2Si
Immm
71
orthorhombic
mmm
8,079.39044
false