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_ScBi2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68322136 _cell_length_b 3.68322136 _cell_length_c 8.24252736 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.37684557 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBi2Te _chemical_formula_sum 'Sc1 Bi2 Te1' _cell_volume 111.72291081 _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 0.00000000 0.00000000 8.22217392 1 Bi Bi1 1 2.54985363 0.00000000 5.93149125 1 Sc Sc2 1 0.00000000 0.00000000 3.91328518 1 Te Te3 1 2.54985363 0.00000000 2.53936805 1 [/CIF]
Bi2ScTe
Cmm2
35
orthorhombic
mm2
8,776.857518
false
[CIF] data_BeBi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14121837 _cell_length_b 5.14121837 _cell_length_c 5.14121837 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeBi2Au _chemical_formula_sum 'Be1 Bi2 Au1' _cell_volume 96.09109735 _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 5.45308556 5.45308556 5.45308556 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Bi Bi2 1 1.81769519 1.81769519 1.81769519 1 Bi Bi3 1 3.63539037 3.63539037 3.63539037 1 [/CIF]
AuBeBi2
F-43m
216
cubic
-43m
10,782.226743
false
[CIF] data_Fe2ReCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78645862 _cell_length_b 2.82113393 _cell_length_c 7.35434596 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe2ReCl _chemical_formula_sum 'Fe2 Re1 Cl1' _cell_volume 57.81231479 _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 0.00000000 1 Fe Fe1 1 1.39322931 0.00000000 1.96906744 1 Fe Fe2 1 1.39322931 0.00000000 5.38527852 1 Re Re3 1 0.00000000 1.41056697 3.67717298 1 [/CIF]
ClFe2Re
Pmmm
47
orthorhombic
mmm
9,574.808222
false
[CIF] data_AlMo2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15215325 _cell_length_b 3.15215325 _cell_length_c 6.11679433 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlMo2Ir _chemical_formula_sum 'Al1 Mo2 Ir1' _cell_volume 60.77689732 _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 3.08905711 1 Ir Ir1 1 1.57607663 1.57607663 4.48309570 1 Mo Mo2 1 0.00000000 0.00000000 0.11757433 1 Mo Mo3 1 1.57607663 1.57607663 1.48546436 1 [/CIF]
AlIrMo2
P4mm
99
tetragonal
4mm
11,232.531183
false
[CIF] data_SrZnGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50925727 _cell_length_b 4.50925727 _cell_length_c 4.56205413 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZnGa2 _chemical_formula_sum 'Sr1 Zn1 Ga2' _cell_volume 92.76207660 _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 Ga Ga0 1 0.00000000 2.25462864 2.28102706 1 Ga Ga1 1 2.25462864 0.00000000 2.28102706 1 Sr Sr2 1 2.25462864 2.25462864 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2SrZn
P4/mmm
123
tetragonal
4/mmm
5,235.092286
false
[CIF] data_Be2HgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65624906 _cell_length_b 6.65624906 _cell_length_c 6.65624906 _cell_angle_alpha 150.39790573 _cell_angle_beta 150.39790573 _cell_angle_gamma 42.35763288 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2HgSe _chemical_formula_sum 'Be2 Hg1 Se1' _cell_volume 71.78524227 _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 1.70042820 3.10333447 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 1.70042820 0.00000000 3.10333448 1 Se Se3 1 -0.00000000 0.00000000 6.20666895 1 [/CIF]
Be2HgSe
I-4m2
119
tetragonal
-42m
6,883.50197
false
[CIF] data_FeBiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26127711 _cell_length_b 4.26127711 _cell_length_c 4.26127711 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeBiOs _chemical_formula_sum 'Fe1 Bi1 Os1' _cell_volume 54.71473918 _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 1.50658897 1.50658897 1.50658897 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 4.51976691 4.51976691 4.51976691 1 [/CIF]
BiFeOs
F-43m
216
cubic
-43m
13,810.48837
false
[CIF] data_As2OsRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92206980 _cell_length_b 2.92206980 _cell_length_c 8.00967200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural As2OsRu _chemical_formula_sum 'As2 Os1 Ru1' _cell_volume 68.39051962 _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 1.46103490 1.46103490 7.48649985 1 As As1 1 0.00000000 0.00000000 2.51898666 1 Os Os2 1 1.46103490 1.46103490 4.06342034 1 Ru Ru3 1 0.00000000 0.00000000 5.95527323 1 [/CIF]
As2OsRu
P4mm
99
tetragonal
4mm
10,711.068166
false
[CIF] data_CdIn4Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00232426 _cell_length_b 6.00232426 _cell_length_c 6.00232426 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdIn4Pd _chemical_formula_sum 'Cd1 In4 Pd1' _cell_volume 152.91263182 _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 2.12214210 2.12214210 2.12214210 1 In In1 1 3.17887231 3.17887231 5.30969607 1 In In2 1 3.17887231 5.30969607 3.17887231 1 In In3 1 5.30969607 3.17887231 3.17887231 1 In In4 1 5.30969607 5.30969607 5.30969607 1 Pd Pd5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdIn4Pd
F-43m
216
cubic
-43m
7,363.790089
false
[CIF] data_BaAu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94804603 _cell_length_b 5.94804603 _cell_length_c 4.53806100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAu5 _chemical_formula_sum 'Ba1 Au5' _cell_volume 139.04315124 _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 Au Au1 1 0.00000000 3.43410597 0.00000000 1 Au Au2 1 -1.48701151 2.57557948 2.26903050 1 Au Au3 1 2.97402301 0.00000000 2.26903050 1 Au Au4 1 1.48701151 2.57557948 2.26903050 1 Au Au5 1 2.97402301 1.71705299 0.00000000 1 [/CIF]
Au5Ba
P6/mmm
191
hexagonal
6/mmm
13,401.524919
false
[CIF] data_ZrCoSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69255136 _cell_length_b 5.69255136 _cell_length_c 5.69255136 _cell_angle_alpha 146.95459016 _cell_angle_beta 146.95459016 _cell_angle_gamma 47.43102359 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCoSb _chemical_formula_sum 'Zr1 Co1 Sb1' _cell_volume 54.63984674 _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 0.03325642 1 Sb Sb1 1 0.00000000 -0.00000000 6.70829875 1 Zr Zr2 1 0.00000000 0.00000000 3.68211822 1 [/CIF]
CoSbZr
I4mm
107
tetragonal
4mm
8,263.784964
false
[CIF] data_Al3Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78229974 _cell_length_b 3.78229974 _cell_length_c 3.78229974 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al3Co _chemical_formula_sum 'Al3 Co1' _cell_volume 54.10879080 _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 1.89114987 1.89114987 0.00000000 1 Al Al1 1 1.89114987 0.00000000 1.89114987 1 Al Al2 1 0.00000000 1.89114987 1.89114987 1 Co Co3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al3Co
Pm-3m
221
cubic
m-3m
4,292.695622
false
[CIF] data_BaHfSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36432496 _cell_length_b 5.36432496 _cell_length_c 4.11903237 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.93279829 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHfSb2 _chemical_formula_sum 'Ba1 Hf1 Sb2' _cell_volume 115.96787938 _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 Hf Hf1 1 3.37832331 0.00000000 0.00000000 1 Sb Sb2 1 1.68916165 2.08344150 2.05951618 1 Sb Sb3 1 1.68916166 -2.08344149 2.05951618 1 [/CIF]
BaHfSb2
Cmmm
65
orthorhombic
mmm
8,009.122395
false
[CIF] data_CdCoNiPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57547920 _cell_length_b 4.57547920 _cell_length_c 4.57547920 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdCoNiPb _chemical_formula_sum 'Cd1 Co1 Ni1 Pb1' _cell_volume 67.73213395 _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 3.23535237 3.23535237 3.23535237 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 4.85302856 4.85302856 4.85302856 1 Pb Pb3 1 1.61767619 1.61767619 1.61767618 1 [/CIF]
CdCoNiPb
F-43m
216
cubic
-43m
10,719.433533
false
[CIF] data_BaNb2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15623154 _cell_length_b 6.15623154 _cell_length_c 3.04509615 _cell_angle_alpha 99.78852959 _cell_angle_beta 99.78852959 _cell_angle_gamma 127.60130641 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNb2Ni _chemical_formula_sum 'Ba1 Nb2 Ni1' _cell_volume 84.38271788 _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 2.71794928 -0.00000000 0.00000000 1 Nb Nb1 1 0.77266808 -2.76188063 1.40513247 1 Nb Nb2 1 0.77266808 2.76188063 1.40513247 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaNb2Ni
C2/m
12
monoclinic
2/m
7,513.96607
false
[CIF] data_Tl2PdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41200163 _cell_length_b 5.41200163 _cell_length_c 5.41200163 _cell_angle_alpha 122.26727585 _cell_angle_beta 122.26727585 _cell_angle_gamma 86.11586736 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2PdBr _chemical_formula_sum 'Tl2 Pd1 Br1' _cell_volume 107.97639633 _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 Pd Pd1 1 0.00000000 0.00000000 3.95435333 1 Tl Tl2 1 -0.00000000 2.61274294 1.97717666 1 Tl Tl3 1 2.61274294 0.00000000 1.97717667 1 [/CIF]
BrPdTl2
I4/mmm
139
tetragonal
4/mmm
9,151.73337
false
[CIF] data_SrAcMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36504401 _cell_length_b 5.36504401 _cell_length_c 5.36504401 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAcMn2 _chemical_formula_sum 'Sr1 Ac1 Mn2' _cell_volume 109.19553200 _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 Ac Ac0 1 3.79365900 3.79365900 3.79365900 1 Mn Mn1 1 1.89682950 1.89682950 1.89682950 1 Mn Mn2 1 5.69048850 5.69048850 5.69048850 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AcMn2Sr
Fm-3m
225
cubic
m-3m
6,455.322193
false
[CIF] data_NbIr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45787360 _cell_length_b 4.45787360 _cell_length_c 4.45787360 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbIr2Ru _chemical_formula_sum 'Nb1 Ir2 Ru1' _cell_volume 62.64238030 _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 Ir Ir0 1 4.72828897 4.72828897 4.72828897 1 Ir Ir1 1 1.57609632 1.57609633 1.57609633 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Ru Ru3 1 3.15219265 3.15219265 3.15219265 1 [/CIF]
Ir2NbRu
Fm-3m
225
cubic
m-3m
15,332.639466
false
[CIF] data_K2NaNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83283204 _cell_length_b 5.83283204 _cell_length_c 5.83283204 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NaNi _chemical_formula_sum 'K2 Na1 Ni1' _cell_volume 140.32124037 _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 6.18665264 6.18665264 6.18665264 1 K K1 1 2.06221755 2.06221755 2.06221754 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Ni Ni3 1 4.12443509 4.12443509 4.12443509 1 [/CIF]
K2NaNi
Fm-3m
225
cubic
m-3m
1,891.991563
false
[CIF] data_YbBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86159125 _cell_length_b 8.86159125 _cell_length_c 4.59636800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 148.91754691 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbBi2 _chemical_formula_sum 'Yb2 Bi4' _cell_volume 186.34425629 _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 Yb Yb0 1 2.37430100 -1.67712477 3.44727600 1 Yb Yb1 1 2.37430100 1.67712477 1.14909200 1 Bi Bi2 1 2.37430100 -7.41688024 3.44727600 1 Bi Bi3 1 2.37430100 7.41688024 1.14909200 1 Bi Bi4 1 2.37430100 4.42206337 3.44727600 1 Bi Bi5 1 2.37430100 -4.42206337 1.14909200 1 [/CIF]
Bi4Yb2
Cmcm
63
orthorhombic
mmm
10,533.226877
false
[CIF] data_HfGa2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50678113 _cell_length_b 4.50678113 _cell_length_c 3.31171042 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.91134103 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfGa2Ru _chemical_formula_sum 'Hf1 Ga2 Ru1' _cell_volume 65.56375556 _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 Ga Ga0 1 1.40413262 1.76243599 1.65585521 1 Ga Ga1 1 1.40413262 -1.76243599 1.65585521 1 Hf Hf2 1 2.80826523 0.00000000 0.00000000 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2HfRu
Cmmm
65
orthorhombic
mmm
10,612.455501
false
[CIF] data_PtPbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74560790 _cell_length_b 4.74560790 _cell_length_c 4.74560790 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PtPbCl _chemical_formula_sum 'Pt1 Pb1 Cl1' _cell_volume 75.57193812 _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 0.00000000 1 Pb Pb1 1 1.67782576 1.67782576 1.67782576 1 Pt Pt2 1 5.03347730 5.03347730 5.03347730 1 [/CIF]
ClPbPt
F-43m
216
cubic
-43m
9,618.376972
false
[CIF] data_TaCo2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69717132 _cell_length_b 3.75197553 _cell_length_c 3.91171796 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCo2Mo _chemical_formula_sum 'Ta1 Co2 Mo1' _cell_volume 54.26216364 _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 1.87598777 1.95585898 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 1.84858566 0.00000000 1.95585898 1 Ta Ta3 1 1.84858566 1.87598777 0.00000000 1 [/CIF]
Co2MoTa
Pmmm
47
orthorhombic
mmm
12,080.942849
false
[CIF] data_FeSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28414664 _cell_length_b 6.28414664 _cell_length_c 7.81776527 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 76.40632315 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeSi2 _chemical_formula_sum 'Fe8 Si16' _cell_volume 300.07905263 _cell_formula_units_Z 8 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 Si Si0 1 6.18787212 0.34848719 1.77328845 1 Si Si1 1 8.62680441 -0.34848719 5.68217109 1 Si Si2 1 8.62680441 0.34848719 2.13559418 1 Si Si3 1 6.18787212 -0.34848719 6.04447682 1 Si Si4 1 3.68857890 -0.34848719 6.04447682 1 Si Si5 1 1.24964661 0.34848719 2.13559418 1 Si Si6 1 1.24964661 -0.34848719 5.68217109 1 Si Si7 1 3.68857890 0.34848719 1.77328845 1 Si Si8 1 6.20376930 -1.75895560 0.38919157 1 Si Si9 1 3.67268172 -2.12748594 4.29807421 1 Si Si10 1 3.67268172 2.12748594 3.51969106 1 Si Si11 1 6.20376930 1.75895560 7.42857370 1 Si Si12 1 3.67268172 1.75895560 7.42857370 1 Si Si13 1 6.20376930 2.12748594 3.51969106 1 Si Si14 1 6.20376930 -2.12748594 4.29807421 1 Si Si15 1 3.67268172 -1.75895560 0.38919157 1 Fe Fe16 1 4.93822551 -2.39013077 6.35046767 1 Fe Fe17 1 4.93822551 -1.49631077 2.44158503 1 Fe Fe18 1 4.93822551 1.49631077 5.37618024 1 Fe Fe19 1 4.93822551 2.39013077 1.46729760 1 Fe Fe20 1 7.07664466 0.00000000 3.90888263 1 Fe Fe21 1 7.73803187 0.00000000 0.00000000 1 Fe Fe22 1 2.79980636 -0.00000000 3.90888263 1 Fe Fe23 1 2.13841915 -0.00000000 0.00000000 1 [/CIF]
Fe8Si16
Cmce
64
orthorhombic
mmm
4,958.878468
false
[CIF] data_TaHg3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05737280 _cell_length_b 5.05737280 _cell_length_c 5.05737280 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaHg3Ru _chemical_formula_sum 'Ta1 Hg3 Ru1' _cell_volume 129.35252342 _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 0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 0.00000000 2.52868640 0.00000000 1 Hg Hg2 1 0.00000000 0.00000000 2.52868640 1 Hg Hg3 1 2.52868640 0.00000000 0.00000000 1 Ta Ta4 1 2.52868640 2.52868640 2.52868640 1 [/CIF]
Hg3RuTa
Pm-3m
221
cubic
m-3m
11,345.463254
false
[CIF] data_Ni2GeB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31287849 _cell_length_b 4.31287849 _cell_length_c 4.31287849 _cell_angle_alpha 140.15174927 _cell_angle_beta 115.05192115 _cell_angle_gamma 78.97813579 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2GeB _chemical_formula_sum 'Ni2 Ge1 B1' _cell_volume 45.31184991 _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 Ge Ge1 1 0.00000000 0.00000000 3.32844644 1 Ni Ni2 1 1.46972309 0.00000000 1.27932460 1 Ni Ni3 1 0.00000000 2.31565957 2.04912184 1 [/CIF]
B2Ge2Ni4
Immm
71
orthorhombic
mmm
7,360.083811
false
[CIF] data_YTiAlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71830988 _cell_length_b 4.71830988 _cell_length_c 4.71830988 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTiAlRe _chemical_formula_sum 'Y1 Ti1 Al1 Re1' _cell_volume 74.27529445 _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 Re Re1 1 3.33634891 3.33634891 3.33634891 1 Ti Ti2 1 5.00452337 5.00452337 5.00452337 1 Y Y3 1 1.66817445 1.66817445 1.66817445 1 [/CIF]
AlReTiY
F-43m
216
cubic
-43m
7,823.928022
false
[CIF] data_BP2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11785482 _cell_length_b 3.18343398 _cell_length_c 4.62654141 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.52500531 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BP2Pt _chemical_formula_sum 'B1 P2 Pt1' _cell_volume 58.96703629 _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 2.71636771 0.00000000 0.59446639 1 P P1 1 3.80732423 1.59171699 0.61063161 1 P P2 1 0.56045638 0.00000000 3.47328310 1 Pt Pt3 1 1.58747693 1.59171699 2.06897578 1 [/CIF]
BP2Pt
Pm
6
monoclinic
m
7,542.569591
false
[CIF] data_LaAlRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78568245 _cell_length_b 4.78568245 _cell_length_c 4.78568245 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAlRe _chemical_formula_sum 'La1 Al1 Re1' _cell_volume 77.50266475 _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 La La1 1 5.07598277 5.07598277 5.07598277 1 Re Re2 1 3.38398851 3.38398851 3.38398851 1 [/CIF]
AlLaRe
F-43m
216
cubic
-43m
7,543.816181
false
[CIF] data_GaP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84871716 _cell_length_b 5.84871716 _cell_length_c 4.62477777 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 46.47771325 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaP2 _chemical_formula_sum 'Ga2 P4' _cell_volume 114.71334493 _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 Ga Ga0 1 5.37419884 -1.89648313 3.46858333 1 Ga Ga1 1 5.37419884 1.89648313 1.15619444 1 P P2 1 3.00660135 -1.12537861 3.46858333 1 P P3 1 7.74179633 1.12537861 1.15619444 1 P P4 1 7.74179633 -1.12537861 3.46858333 1 P P5 1 3.00660135 1.12537861 1.15619444 1 [/CIF]
Ga2P4
Cmcm
63
orthorhombic
mmm
3,812.007211
false
[CIF] data_KNb2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85533678 _cell_length_b 4.85533678 _cell_length_c 4.85533678 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNb2Cr _chemical_formula_sum 'K1 Nb2 Cr1' _cell_volume 80.93625009 _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 1.71662078 1.71662078 1.71662078 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 5.14986234 5.14986234 5.14986234 1 Nb Nb3 1 3.43324156 3.43324156 3.43324156 1 [/CIF]
CrKNb2
F-43m
216
cubic
-43m
5,681.201643
false
[CIF] data_ScNi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59867343 _cell_length_b 4.59867343 _cell_length_c 4.59867343 _cell_angle_alpha 130.39437587 _cell_angle_beta 130.39437587 _cell_angle_gamma 72.77707248 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNi2Ir _chemical_formula_sum 'Sc1 Ni2 Ir1' _cell_volume 55.10833556 _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 Ir Ir0 1 0.00000000 -0.00000000 3.70198965 1 Ni Ni1 1 0.00000000 1.92912803 1.85099483 1 Ni Ni2 1 1.92912803 -0.00000000 1.85099483 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrNi2Sc
I4/mmm
139
tetragonal
4/mmm
10,683.687817
false
[CIF] data_NaNbNiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46322907 _cell_length_b 4.46322907 _cell_length_c 4.46322907 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNbNiPd _chemical_formula_sum 'Na1 Nb1 Ni1 Pd1' _cell_volume 62.86841811 _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 Na Na0 1 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 1.57798977 1.57798977 1.57798977 1 Ni Ni2 1 4.73396931 4.73396931 4.73396931 1 Pd Pd3 1 3.15597954 3.15597954 3.15597954 1 [/CIF]
NaNbNiPd
F-43m
216
cubic
-43m
7,422.285286
false
[CIF] data_CrN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98188943 _cell_length_b 2.98188943 _cell_length_c 2.98188943 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrN _chemical_formula_sum 'Cr1 N1' _cell_volume 18.74820143 _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 N N0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 2.10851424 2.10851424 2.10851424 1 [/CIF]
Cr4N4
Fm-3m
225
cubic
m-3m
5,845.90625
false
[CIF] data_OsW4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27585771 _cell_length_b 6.27585771 _cell_length_c 6.27585771 _cell_angle_alpha 142.28375619 _cell_angle_beta 142.28375619 _cell_angle_gamma 54.40160049 _symmetry_Int_Tables_number 1 _chemical_formula_structural OsW4 _chemical_formula_sum 'Os1 W4' _cell_volume 91.87415824 _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 Os Os0 1 0.00000000 0.00000000 0.00000000 1 W W1 1 2.02851930 -0.00000000 2.79090527 1 W W2 1 -0.00000000 0.00000000 4.35624444 1 W W3 1 0.00000000 -0.00000000 6.80737664 1 W W4 1 -0.00000000 2.02851930 2.79090527 1 [/CIF]
OsW4
I4/mmm
139
tetragonal
4/mmm
16,729.169379
false
[CIF] data_LiV2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.56640231 _cell_length_b 4.05972564 _cell_length_c 5.03200585 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.20037539 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiV2Si _chemical_formula_sum 'Li1 V2 Si1' _cell_volume 51.75343802 _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 Li Li0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 -0.40227781 0.00000000 2.48363509 1 V V2 1 0.66524681 2.02986282 3.68091287 1 V V3 1 1.09659988 2.02986282 1.28635732 1 [/CIF]
LiSiV2
P2/m
10
monoclinic
2/m
4,392.820691
false
[CIF] data_Sn2GeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26336262 _cell_length_b 5.26336262 _cell_length_c 5.25824292 _cell_angle_alpha 97.77621235 _cell_angle_beta 97.77621235 _cell_angle_gamma 34.62487120 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2GeMo _chemical_formula_sum 'Sn2 Ge1 Mo1' _cell_volume 81.93382251 _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 Mo Mo1 1 4.65230049 0.00000000 2.60258332 1 Sn Sn2 1 1.81092299 0.00000000 3.84162900 1 Sn Sn3 1 7.49367799 0.00000000 1.36353765 1 [/CIF]
GeMoSn2
C2/m
12
monoclinic
2/m
8,228.73938
false
[CIF] data_TlZnFeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43301389 _cell_length_b 4.43301389 _cell_length_c 4.43301389 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlZnFeOs _chemical_formula_sum 'Tl1 Zn1 Fe1 Os1' _cell_volume 61.60022200 _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 Os Os1 1 3.13461418 3.13461418 3.13461418 1 Tl Tl2 1 1.56730709 1.56730709 1.56730709 1 Zn Zn3 1 4.70192127 4.70192127 4.70192127 1 [/CIF]
FeOsTlZn
F-43m
216
cubic
-43m
13,905.301336
false
[CIF] data_TiMoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46829086 _cell_length_b 4.46829086 _cell_length_c 3.13390903 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMoAs2 _chemical_formula_sum 'Ti1 Mo1 As2' _cell_volume 62.57044679 _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 2.23414543 1.56695451 1 As As1 1 2.23414543 0.00000000 1.56695451 1 Mo Mo2 1 2.23414543 2.23414543 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As2MoTi
P4/mmm
123
tetragonal
4/mmm
7,793.705874
false
[CIF] data_MgNiSnPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97283460 _cell_length_b 4.97283460 _cell_length_c 4.97283460 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNiSnPb _chemical_formula_sum 'Mg1 Ni1 Sn1 Pb1' _cell_volume 86.95549801 _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 Ni Ni1 1 5.27448761 5.27448761 5.27448761 1 Pb Pb2 1 1.75816254 1.75816254 1.75816253 1 Sn Sn3 1 3.51632507 3.51632507 3.51632507 1 [/CIF]
MgNiPbSn
F-43m
216
cubic
-43m
7,808.688218
false
[CIF] data_Y2CoGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79911762 _cell_length_b 4.79911762 _cell_length_c 4.79911762 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CoGe _chemical_formula_sum 'Y2 Co1 Ge1' _cell_volume 78.15723436 _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 Ge Ge1 1 5.09023291 5.09023291 5.09023291 1 Y Y2 1 3.39348861 3.39348861 3.39348861 1 Y Y3 1 1.69674430 1.69674430 1.69674430 1 [/CIF]
CoGeY2
F-43m
216
cubic
-43m
6,573.232906
false
[CIF] data_ZrFeRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07997765 _cell_length_b 6.07997765 _cell_length_c 6.07997765 _cell_angle_alpha 152.59313099 _cell_angle_beta 152.59313099 _cell_angle_gamma 39.14776107 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFeRe _chemical_formula_sum 'Zr1 Fe1 Re1' _cell_volume 47.53687617 _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 0.22125009 1 Re Re1 1 0.00000000 0.00000000 7.33339668 1 Zr Zr2 1 -0.00000000 0.00000000 3.90258809 1 [/CIF]
FeReZr
I4mm
107
tetragonal
4mm
11,642.986797
false
[CIF] data_In2CoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36129596 _cell_length_b 4.36129596 _cell_length_c 3.28094029 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2CoRu _chemical_formula_sum 'In2 Co1 Ru1' _cell_volume 62.40644520 _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 In In1 1 0.00000000 2.18064798 1.64047015 1 In In2 1 2.18064798 0.00000000 1.64047015 1 Ru Ru3 1 2.18064798 2.18064798 0.00000000 1 [/CIF]
CoIn2Ru
P4/mmm
123
tetragonal
4/mmm
10,367.696847
false
[CIF] data_In3C4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73266377 _cell_length_b 4.73266377 _cell_length_c 4.73266377 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In3C4 _chemical_formula_sum 'In3 C4' _cell_volume 106.00270649 _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 C C1 1 0.00000000 2.36633189 2.36633189 1 C C2 1 2.36633189 0.00000000 2.36633189 1 C C3 1 2.36633189 2.36633189 0.00000000 1 In In4 1 0.00000000 2.36633189 0.00000000 1 In In5 1 0.00000000 0.00000000 2.36633189 1 In In6 1 2.36633189 0.00000000 0.00000000 1 [/CIF]
C4In3
Pm-3m
221
cubic
m-3m
6,148.487067
false
[CIF] data_NiSn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28751216 _cell_length_b 3.28751216 _cell_length_c 6.65977493 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSn2Pt _chemical_formula_sum 'Ni1 Sn2 Pt1' _cell_volume 71.97709061 _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 Pt Pt1 1 0.00000000 0.00000000 3.32988747 1 Sn Sn2 1 1.64375608 1.64375608 5.06815619 1 Sn Sn3 1 1.64375608 1.64375608 1.59161874 1 [/CIF]
NiPtSn2
P4/mmm
123
tetragonal
4/mmm
11,332.112276
false
[CIF] data_TaCrGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87831492 _cell_length_b 5.87831492 _cell_length_c 5.87831492 _cell_angle_alpha 151.20432981 _cell_angle_beta 151.20432981 _cell_angle_gamma 41.17639922 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCrGe _chemical_formula_sum 'Ta1 Cr1 Ge1' _cell_volume 47.02664936 _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 10.88850424 1 Ge Ge1 1 -0.00000000 0.00000000 3.78179563 1 Ta Ta2 1 -0.00000000 0.00000000 7.34121444 1 [/CIF]
CrGeTa
I4mm
107
tetragonal
4mm
10,790.352785
false
[CIF] data_KSrLiCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82897766 _cell_length_b 5.82897766 _cell_length_c 5.82897766 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KSrLiCr _chemical_formula_sum 'K1 Sr1 Li1 Cr1' _cell_volume 140.04324792 _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 6.18256444 6.18256444 6.18256444 1 K K1 1 2.06085482 2.06085482 2.06085482 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 4.12170963 4.12170963 4.12170963 1 [/CIF]
CrKLiSr
F-43m
216
cubic
-43m
2,201.377426
false
[CIF] data_ZrBeAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.02413408 _cell_length_b 9.02413408 _cell_length_c 9.02413408 _cell_angle_alpha 18.92440334 _cell_angle_beta 18.92440334 _cell_angle_gamma 18.92440334 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBeAl2 _chemical_formula_sum 'Zr1 Be1 Al2' _cell_volume 67.54996964 _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 26.43918707 1 Al Al1 1 -0.00000000 -0.00000000 6.46495071 1 Be Be2 1 -0.00000000 -0.00000000 13.47076198 1 Zr Zr3 1 -0.00000000 -0.00000000 20.07547084 1 [/CIF]
Al2BeZr
R3m
160
trigonal
3m
3,790.584888
false
[CIF] data_SrBeAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03625529 _cell_length_b 5.03625529 _cell_length_c 5.03625529 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrBeAl _chemical_formula_sum 'Sr1 Be1 Al1' _cell_volume 90.32505046 _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 3.56117027 3.56117027 3.56117027 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Sr Sr2 1 5.34175540 5.34175540 5.34175540 1 [/CIF]
AlBeSr
F-43m
216
cubic
-43m
2,272.519209
false
[CIF] data_TbAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37614200 _cell_length_b 7.46483400 _cell_length_c 5.23635300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbAlO3 _chemical_formula_sum 'Tb4 Al4 O12' _cell_volume 210.14535834 _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 Tb Tb0 1 2.96482941 1.86620850 0.06470561 1 Tb Tb1 1 5.09938359 5.59862550 2.68288211 1 Tb Tb2 1 0.27675841 1.86620850 2.55347089 1 Tb Tb3 1 2.41131259 5.59862550 5.17164739 1 Al Al4 1 2.68807100 0.00000000 2.61817650 1 Al Al5 1 0.00000000 0.00000000 0.00000000 1 Al Al6 1 0.00000000 3.73241700 0.00000000 1 Al Al7 1 2.68807100 3.73241700 2.61817650 1 O O8 1 4.25783457 3.40236683 1.52724519 1 O O9 1 3.80637843 4.06246717 4.14542169 1 O O10 1 1.56976357 0.33005017 1.09093131 1 O O11 1 1.11830743 7.13478383 3.70910781 1 O O12 1 1.11830743 4.06246717 3.70910781 1 O O13 1 1.56976357 3.40236683 1.09093131 1 O O14 1 3.80637843 7.13478383 4.14542169 1 O O15 1 4.25783457 0.33005017 1.52724519 1 O O16 1 5.26260863 1.86620850 4.79915418 1 O O17 1 2.80160437 5.59862550 2.18097768 1 O O18 1 2.57453763 1.86620850 3.05537532 1 O O19 1 0.11353337 5.59862550 0.43719882 1 [/CIF]
Al4O12Tb4
Pnma
62
orthorhombic
mmm
7,393.140454
false
[CIF] data_Sm(AlAu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44579300 _cell_length_b 4.44579300 _cell_length_c 10.32100500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm(AlAu)2 _chemical_formula_sum 'Sm2 Al4 Au4' _cell_volume 203.99544202 _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 Sm Sm0 1 0.00000000 2.22289650 7.71331020 1 Sm Sm1 1 2.22289650 0.00000000 2.60769480 1 Al Al2 1 0.00000000 0.00000000 0.00000000 1 Al Al3 1 2.22289650 2.22289650 0.00000000 1 Al Al4 1 0.00000000 2.22289650 3.81933951 1 Al Al5 1 2.22289650 0.00000000 6.50166549 1 Au Au6 1 0.00000000 0.00000000 5.16050250 1 Au Au7 1 2.22289650 2.22289650 5.16050250 1 Au Au8 1 0.00000000 2.22289650 1.33205987 1 Au Au9 1 2.22289650 0.00000000 8.98894513 1 [/CIF]
Al4Au4Sm2
P4/nmm
129
tetragonal
4/mmm
9,739.706018
false
[CIF] data_BaHfAlTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05490639 _cell_length_b 5.05490639 _cell_length_c 5.05490639 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHfAlTc _chemical_formula_sum 'Ba1 Hf1 Al1 Tc1' _cell_volume 91.33229185 _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 Ba Ba1 1 5.36153789 5.36153789 5.36153789 1 Hf Hf2 1 1.78717930 1.78717930 1.78717930 1 Tc Tc3 1 3.57435859 3.57435859 3.57435859 1 [/CIF]
AlBaHfTc
F-43m
216
cubic
-43m
8,030.762828
false
[CIF] data_VOs2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02820167 _cell_length_b 3.02820167 _cell_length_c 6.45813931 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VOs2Se _chemical_formula_sum 'V1 Os2 Se1' _cell_volume 59.22117205 _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 Os Os0 1 1.51410084 1.51410084 1.46581176 1 Os Os1 1 1.51410084 1.51410084 4.99232755 1 Se Se2 1 0.00000000 0.00000000 3.22906966 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Os2SeV
P4/mmm
123
tetragonal
4/mmm
14,310.341715
false
[CIF] data_ReP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82088411 _cell_length_b 3.82088411 _cell_length_c 3.82088411 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReP3 _chemical_formula_sum 'Re1 P3' _cell_volume 55.78168082 _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 1.91044206 1.91044206 0.00000000 1 P P1 1 1.91044206 0.00000000 1.91044206 1 P P2 1 0.00000000 1.91044206 1.91044206 1 Re Re3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
P3Re
Pm-3m
221
cubic
m-3m
8,309.240896
false
[CIF] data_NiSb2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26813204 _cell_length_b 3.26813204 _cell_length_c 6.50779578 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSb2Ru _chemical_formula_sum 'Ni1 Sb2 Ru1' _cell_volume 69.50772999 _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 Ru Ru1 1 0.00000000 0.00000000 3.25389789 1 Sb Sb2 1 1.63406602 1.63406602 4.90460608 1 Sb Sb3 1 1.63406602 1.63406602 1.60318970 1 [/CIF]
NiRuSb2
P4/mmm
123
tetragonal
4/mmm
9,634.436929
false
[CIF] data_Ca3CoSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20714029 _cell_length_b 5.20714029 _cell_length_c 5.20714029 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3CoSb _chemical_formula_sum 'Ca3 Co1 Sb1' _cell_volume 141.18801604 _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 Sb Sb0 1 2.60357014 2.60357014 2.60357014 1 Ca Ca1 1 0.00000000 2.60357014 0.00000000 1 Ca Ca2 1 0.00000000 0.00000000 2.60357014 1 Ca Ca3 1 2.60357014 0.00000000 0.00000000 1 Co Co4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca3CoSb
Pm-3m
221
cubic
m-3m
3,539.261883
false
[CIF] data_BeRhPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28393030 _cell_length_b 5.28393030 _cell_length_c 5.28393030 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeRhPb3 _chemical_formula_sum 'Be1 Rh1 Pb3' _cell_volume 147.52690817 _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 2.64196515 0.00000000 2.64196515 1 Pb Pb1 1 2.64196515 2.64196515 0.00000000 1 Pb Pb2 1 0.00000000 2.64196515 2.64196515 1 Be Be3 1 0.00000000 0.00000000 0.00000000 1 Rh Rh4 1 2.64196515 2.64196515 2.64196515 1 [/CIF]
BePb3Rh
Pm-3m
221
cubic
m-3m
8,256.356634
false
[CIF] data_Tl2CdPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35327092 _cell_length_b 3.35327092 _cell_length_c 8.56060657 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2CdPd _chemical_formula_sum 'Tl2 Cd1 Pd1' _cell_volume 96.25910592 _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 1.67663546 1.67663546 4.72832314 1 Pd Pd1 1 0.00000000 0.00000000 6.28548935 1 Tl Tl2 1 1.67663546 1.67663546 8.10218891 1 Tl Tl3 1 0.00000000 0.00000000 2.28551511 1 [/CIF]
CdPdTl2
P4mm
99
tetragonal
4mm
10,826.511663
false
[CIF] data_TlRhSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52802675 _cell_length_b 7.52802675 _cell_length_c 7.52802675 _cell_angle_alpha 29.79504120 _cell_angle_beta 29.79504120 _cell_angle_gamma 29.79504120 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlRhSe2 _chemical_formula_sum 'Tl1 Rh1 Se2' _cell_volume 93.27704028 _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 Rh Rh0 1 -0.00000000 -0.00000000 -0.00000000 1 Se Se1 1 -0.00000000 0.00000000 5.96309431 1 Se Se2 1 -0.00000000 -0.00000000 15.60289680 1 Tl Tl3 1 0.00000000 0.00000000 10.78299555 1 [/CIF]
RhSe2Tl
R-3m
166
trigonal
-3m
8,286.479822
false
[CIF] data_Ba2CuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83737821 _cell_length_b 5.83737821 _cell_length_c 3.92038466 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CuBr _chemical_formula_sum 'Ba2 Cu1 Br1' _cell_volume 133.58704600 _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 2.91868911 1.96019233 1 Ba Ba1 1 2.91868911 0.00000000 1.96019233 1 Br Br2 1 2.91868911 2.91868911 0.00000000 1 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ba2BrCu
P4/mmm
123
tetragonal
4/mmm
5,197.195736
false
[CIF] data_ZnInTcAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56811238 _cell_length_b 4.56811238 _cell_length_c 4.56811238 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnInTcAg _chemical_formula_sum 'Zn1 In1 Tc1 Ag1' _cell_volume 67.40550085 _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 1.61507162 1.61507162 1.61507162 1 In In1 1 3.23014324 3.23014324 3.23014324 1 Tc Tc2 1 4.84521486 4.84521486 4.84521486 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgInTcZn
F-43m
216
cubic
-43m
9,533.091214
false
[CIF] data_Cs3ZrTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07436530 _cell_length_b 7.07436530 _cell_length_c 7.07436530 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3ZrTc _chemical_formula_sum 'Cs3 Zr1 Tc1' _cell_volume 354.04824451 _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 Cs Cs0 1 0.00000000 3.53718265 0.00000000 1 Cs Cs1 1 0.00000000 0.00000000 3.53718265 1 Cs Cs2 1 3.53718265 0.00000000 0.00000000 1 Tc Tc3 1 3.53718265 3.53718265 3.53718265 1 Zr Zr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cs3TcZr
Pm-3m
221
cubic
m-3m
2,761.778162
false
[CIF] data_ScNiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79395539 _cell_length_b 5.70830258 _cell_length_c 3.26132924 _cell_angle_alpha 74.97709229 _cell_angle_beta 72.09067918 _cell_angle_gamma 32.93222853 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNiSb _chemical_formula_sum 'Sc1 Ni1 Sb1' _cell_volume 55.79837483 _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 2.19670978 2.41054653 10.53513400 1 Sb Sb1 1 2.19670978 2.41054653 6.80512134 1 Sc Sc2 1 2.19670978 2.41054653 3.73453889 1 [/CIF]
NiSbSc
Fmm2
42
orthorhombic
mm2
6,708.098034
false
[CIF] data_YMnRhAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69878478 _cell_length_b 4.69878478 _cell_length_c 4.69878478 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YMnRhAu _chemical_formula_sum 'Y1 Mn1 Rh1 Au1' _cell_volume 73.35701681 _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 3.32254258 3.32254258 3.32254258 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 4.98381387 4.98381387 4.98381387 1 Y Y3 1 1.66127129 1.66127129 1.66127129 1 [/CIF]
AuMnRhY
F-43m
216
cubic
-43m
10,044.133809
false
[CIF] data_Ba2AgAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61570713 _cell_length_b 5.61570713 _cell_length_c 5.61570713 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2AgAs _chemical_formula_sum 'Ba2 Ag1 As1' _cell_volume 125.22710841 _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 1.98545229 1.98545230 1.98545230 1 As As1 1 0.00000000 0.00000000 0.00000000 1 Ba Ba2 1 5.95635689 5.95635689 5.95635689 1 Ba Ba3 1 3.97090459 3.97090459 3.97090459 1 [/CIF]
AgAsBa2
F-43m
216
cubic
-43m
6,065.805642
false
[CIF] data_Na2MoAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85717383 _cell_length_b 4.85717383 _cell_length_c 4.85717383 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2MoAs _chemical_formula_sum 'Na2 Mo1 As1' _cell_volume 81.02815318 _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 3.43454055 3.43454055 3.43454055 1 Mo Mo1 1 1.71727027 1.71727027 1.71727027 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Na Na3 1 5.15181083 5.15181083 5.15181083 1 [/CIF]
AsMoNa2
F-43m
216
cubic
-43m
4,444.213258
false
[CIF] data_HfNb2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49475028 _cell_length_b 5.49475028 _cell_length_c 5.49475028 _cell_angle_alpha 142.52965781 _cell_angle_beta 132.95880053 _cell_angle_gamma 61.63149272 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNb2Pd _chemical_formula_sum 'Hf1 Nb2 Pd1' _cell_volume 73.05200328 _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 -0.00000000 -0.00000000 4.71899672 1 Nb Nb1 1 1.76488289 0.00000000 2.34079471 1 Nb Nb2 1 -0.00000000 2.19283811 2.37820201 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfNb2Pd
Immm
71
orthorhombic
mmm
10,699.960268
false
[CIF] data_BeRe2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26084535 _cell_length_b 4.26084535 _cell_length_c 4.26084535 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeRe2Tc _chemical_formula_sum 'Be1 Re2 Tc1' _cell_volume 54.69810951 _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 Re Re1 1 1.50643632 1.50643632 1.50643632 1 Re Re2 1 4.51930896 4.51930896 4.51930896 1 Tc Tc3 1 3.01287264 3.01287264 3.01287264 1 [/CIF]
BeRe2Tc
Fm-3m
225
cubic
m-3m
14,582.052147
false
[CIF] data_MnRe2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45184017 _cell_length_b 4.45184017 _cell_length_c 3.15617450 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnRe2Sb _chemical_formula_sum 'Mn1 Re2 Sb1' _cell_volume 62.55184651 _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 0.00000000 0.00000000 1 Re Re1 1 0.00000000 2.22592008 1.57808725 1 Re Re2 1 2.22592008 0.00000000 1.57808725 1 Sb Sb3 1 2.22592008 2.22592008 0.00000000 1 [/CIF]
MnRe2Sb
P4/mmm
123
tetragonal
4/mmm
14,577.059727
false
[CIF] data_InCo2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37961852 _cell_length_b 4.37961852 _cell_length_c 4.37961852 _cell_angle_alpha 123.83059607 _cell_angle_beta 123.83059607 _cell_angle_gamma 83.48412108 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCo2Ge _chemical_formula_sum 'In1 Co2 Ge1' _cell_volume 55.56790515 _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 2.06182076 1.63392539 1 Co Co1 1 2.06182076 -0.00000000 1.63392539 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 In In3 1 0.00000000 0.00000000 3.26785078 1 [/CIF]
Co2GeIn
I4/mmm
139
tetragonal
4/mmm
9,124.027191
false
[CIF] data_ZrTa2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94417676 _cell_length_b 4.70338134 _cell_length_c 5.32428980 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.55963381 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTa2Rh _chemical_formula_sum 'Zr1 Ta2 Rh1' _cell_volume 72.23310040 _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 Rh Rh0 1 0.93862719 0.00000000 2.60814774 1 Ta Ta1 1 -0.02052325 2.35169067 3.91232833 1 Ta Ta2 1 1.89777762 2.35169067 1.30396714 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
RhTa2Zr
P2/m
10
monoclinic
2/m
12,782.251643
false
[CIF] data_MnNbGaSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56493525 _cell_length_b 4.56493525 _cell_length_c 4.56493525 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNbGaSn _chemical_formula_sum 'Mn1 Nb1 Ga1 Sn1' _cell_volume 67.26495673 _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 Ga Ga0 1 1.61394834 1.61394834 1.61394833 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 4.84184501 4.84184501 4.84184501 1 Sn Sn3 1 3.22789667 3.22789667 3.22789667 1 [/CIF]
GaMnNbSn
F-43m
216
cubic
-43m
8,301.526212
false
[CIF] data_HfCdInFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74918687 _cell_length_b 4.74918687 _cell_length_c 4.74918687 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCdInFe _chemical_formula_sum 'Hf1 Cd1 In1 Fe1' _cell_volume 75.74304790 _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 1.67909112 1.67909112 1.67909112 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Hf Hf2 1 5.03727336 5.03727336 5.03727336 1 In In3 1 3.35818224 3.35818224 3.35818224 1 [/CIF]
CdFeHfIn
F-43m
216
cubic
-43m
10,119.01521
false
[CIF] data_TcPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68615676 _cell_length_b 3.68615676 _cell_length_c 3.68615676 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcPd _chemical_formula_sum 'Tc1 Pd1' _cell_volume 35.41656216 _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 Pd Pd0 1 2.60650644 2.60650644 2.60650644 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PdTc
Fm-3m
225
cubic
m-3m
9,626.913389
false
[CIF] data_K2CaB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57831909 _cell_length_b 4.57831909 _cell_length_c 6.14902208 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CaB _chemical_formula_sum 'K2 Ca1 B1' _cell_volume 128.88968676 _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 Ca Ca1 1 2.28915954 2.28915954 0.00000000 1 K K2 1 2.28915954 0.00000000 3.07451104 1 K K3 1 0.00000000 2.28915954 3.07451104 1 [/CIF]
BCaK2
P4/mmm
123
tetragonal
4/mmm
1,663.0842
false
[CIF] data_MgReOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39921441 _cell_length_b 4.39921441 _cell_length_c 4.39921441 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgReOs2 _chemical_formula_sum 'Mg1 Re1 Os2' _cell_volume 60.20192653 _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 Os Os1 1 3.11071434 3.11071434 3.11071434 1 Os Os2 1 1.55535717 1.55535717 1.55535717 1 Re Re3 1 4.66607151 4.66607151 4.66607151 1 [/CIF]
MgOs2Re
F-43m
216
cubic
-43m
16,300.675906
false
[CIF] data_BaHgBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89473329 _cell_length_b 4.89473329 _cell_length_c 5.68219879 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHgBi2 _chemical_formula_sum 'Ba1 Hg1 Bi2' _cell_volume 136.13647065 _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 Bi Bi1 1 0.00000000 2.44736664 2.84109940 1 Bi Bi2 1 2.44736664 0.00000000 2.84109940 1 Hg Hg3 1 2.44736664 2.44736664 0.00000000 1 [/CIF]
BaBi2Hg
P4/mmm
123
tetragonal
4/mmm
9,220.453531
false
[CIF] data_LaHfTlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99656788 _cell_length_b 4.99656788 _cell_length_c 4.99656788 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHfTlIr _chemical_formula_sum 'La1 Hf1 Tl1 Ir1' _cell_volume 88.20645686 _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 5.29966055 5.29966055 5.29966054 1 Ir Ir1 1 3.53310703 3.53310703 3.53310703 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 1.76655352 1.76655352 1.76655352 1 [/CIF]
HfIrLaTl
F-43m
216
cubic
-43m
13,441.395467
false
[CIF] data_La3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58440775 _cell_length_b 4.58440775 _cell_length_c 4.58440775 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3C _chemical_formula_sum 'La3 C1' _cell_volume 96.34955540 _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 La La1 1 2.29220388 2.29220388 0.00000000 1 La La2 1 2.29220388 0.00000000 2.29220388 1 La La3 1 0.00000000 2.29220388 2.29220388 1 [/CIF]
CLa3
Pm-3m
221
cubic
m-3m
7,388.909187
false
[CIF] data_NaVMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48948722 _cell_length_b 5.48948722 _cell_length_c 2.54804388 _cell_angle_alpha 98.11494315 _cell_angle_beta 98.11494315 _cell_angle_gamma 118.64642571 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaVMo2 _chemical_formula_sum 'Na1 V1 Mo2' _cell_volume 64.75466692 _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 1.04785971 -2.36064156 1.22428767 1 Mo Mo1 1 1.04785971 2.36064156 1.22428767 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 2.80070627 -0.00000000 0.00000000 1 [/CIF]
Mo2NaV
C2/m
12
monoclinic
2/m
6,817.368378
false
[CIF] data_CsMo3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00759786 _cell_length_b 5.00759786 _cell_length_c 5.00759786 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsMo3Pb _chemical_formula_sum 'Cs1 Mo3 Pb1' _cell_volume 125.57070585 _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 2.50379893 2.50379893 2.50379893 1 Cs Cs1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 0.00000000 2.50379893 0.00000000 1 Mo Mo3 1 0.00000000 0.00000000 2.50379893 1 Mo Mo4 1 2.50379893 0.00000000 0.00000000 1 [/CIF]
CsMo3Pb
Pm-3m
221
cubic
m-3m
8,304.43987
false
[CIF] data_AlMo2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13487256 _cell_length_b 3.13487256 _cell_length_c 6.12802251 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlMo2Os _chemical_formula_sum 'Al1 Mo2 Os1' _cell_volume 60.22268754 _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 4.55744668 1 Mo Mo1 1 1.56743628 1.56743628 0.02718519 1 Mo Mo2 1 0.00000000 0.00000000 1.48207511 1 Os Os3 1 1.56743628 1.56743628 3.12532672 1 [/CIF]
AlMo2Os
P4mm
99
tetragonal
4mm
11,281.112334
false
[CIF] data_ZnCrF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97548008 _cell_length_b 3.97548008 _cell_length_c 3.97548008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCrF3 _chemical_formula_sum 'Zn1 Cr1 F3' _cell_volume 62.83024382 _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 F F1 1 0.00000000 1.98774004 1.98774004 1 F F2 1 1.98774004 0.00000000 1.98774004 1 F F3 1 1.98774004 1.98774004 0.00000000 1 Zn Zn4 1 1.98774004 1.98774004 1.98774004 1 [/CIF]
CrF3Zn
Pm-3m
221
cubic
m-3m
4,608.455325
false
[CIF] data_Y2CuCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37379018 _cell_length_b 3.37379018 _cell_length_c 8.04279898 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CuCl _chemical_formula_sum 'Y2 Cu1 Cl1' _cell_volume 91.54683911 _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 0.00000000 1 Cu Cu1 1 0.00000000 0.00000000 4.02139949 1 Y Y2 1 1.68689509 1.68689509 5.77488168 1 Y Y3 1 1.68689509 1.68689509 2.26791730 1 [/CIF]
ClCuY2
P4/mmm
123
tetragonal
4/mmm
5,020.981454
false
[CIF] data_K2PdSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37332848 _cell_length_b 4.37332848 _cell_length_c 5.62577620 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2PdSe _chemical_formula_sum 'K2 Pd1 Se1' _cell_volume 107.59860691 _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 2.18666424 2.18666424 1.38808574 1 K K1 1 2.18666424 2.18666424 4.23769046 1 Pd Pd2 1 0.00000000 0.00000000 2.81288810 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2PdSe
P4/mmm
123
tetragonal
4/mmm
4,067.99289
false
[CIF] data_LaZn2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97397609 _cell_length_b 4.97397609 _cell_length_c 4.97397609 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZn2As _chemical_formula_sum 'La1 Zn2 As1' _cell_volume 87.01539200 _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 La La1 1 3.51713222 3.51713222 3.51713222 1 Zn Zn2 1 1.75856611 1.75856611 1.75856611 1 Zn Zn3 1 5.27569833 5.27569833 5.27569833 1 [/CIF]
AsLaZn2
Fm-3m
225
cubic
m-3m
6,575.851449
false
[CIF] data_ScCoTcSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50225941 _cell_length_b 4.50225941 _cell_length_c 4.50225941 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCoTcSn _chemical_formula_sum 'Sc1 Co1 Tc1 Sn1' _cell_volume 64.53221109 _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 1.59178908 1.59178908 1.59178908 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Sn Sn2 1 3.18357816 3.18357816 3.18357816 1 Tc Tc3 1 4.77536724 4.77536724 4.77536724 1 [/CIF]
CoScSnTc
F-43m
216
cubic
-43m
8,272.955682
false
[CIF] data_ZrBe2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50738445 _cell_length_b 4.50738445 _cell_length_c 4.50738445 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrBe2Hg _chemical_formula_sum 'Zr1 Be2 Hg1' _cell_volume 64.75283814 _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 1.59360106 1.59360106 1.59360106 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 4.78080317 4.78080317 4.78080317 1 Zr Zr3 1 3.18720211 3.18720211 3.18720211 1 [/CIF]
Be2HgZr
F-43m
216
cubic
-43m
7,945.577716
false
[CIF] data_LiCaVPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96137204 _cell_length_b 4.96137204 _cell_length_c 4.96137204 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCaVPb _chemical_formula_sum 'Li1 Ca1 V1 Pb1' _cell_volume 86.35557602 _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 Ca Ca0 1 1.75410991 1.75410991 1.75410990 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 5.26232971 5.26232971 5.26232971 1 V V3 1 3.50821981 3.50821981 3.50821981 1 [/CIF]
CaLiPbV
F-43m
216
cubic
-43m
5,867.958448
false
[CIF] data_CaBeRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45085575 _cell_length_b 4.45085575 _cell_length_c 4.45085575 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBeRe2 _chemical_formula_sum 'Ca1 Be1 Re2' _cell_volume 62.34699967 _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 Ca Ca1 1 1.57361514 1.57361514 1.57361514 1 Re Re2 1 3.14723028 3.14723028 3.14723028 1 Re Re3 1 4.72084542 4.72084542 4.72084542 1 [/CIF]
BeCaRe2
F-43m
216
cubic
-43m
11,226.268541
false
[CIF] data_KRuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74520750 _cell_length_b 4.74520750 _cell_length_c 4.74520750 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KRuAu _chemical_formula_sum 'K1 Ru1 Au1' _cell_volume 75.55281080 _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 3.35536840 3.35536840 3.35536840 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.67768420 1.67768420 1.67768420 1 [/CIF]
AuKRu
F-43m
216
cubic
-43m
7,409.725922
false
[CIF] data_SiSnHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12516055 _cell_length_b 5.12516055 _cell_length_c 5.12516055 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiSnHg2 _chemical_formula_sum 'Si1 Sn1 Hg2' _cell_volume 95.19352875 _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 3.62403578 3.62403578 3.62403578 1 Hg Hg1 1 1.81201789 1.81201789 1.81201789 1 Si Si2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 5.43605367 5.43605367 5.43605367 1 [/CIF]
Hg2SiSn
F-43m
216
cubic
-43m
9,558.787632
false
[CIF] data_BaYRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15863505 _cell_length_b 5.15863505 _cell_length_c 3.52762421 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYRh2 _chemical_formula_sum 'Ba1 Y1 Rh2' _cell_volume 93.87542656 _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 2.57931752 2.57931752 0.00000000 1 Rh Rh1 1 2.57931752 0.00000000 1.76381210 1 Rh Rh2 1 0.00000000 2.57931752 1.76381210 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaRh2Y
P4/mmm
123
tetragonal
4/mmm
7,642.352756
false
[CIF] data_LaZrRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35632867 _cell_length_b 3.35632867 _cell_length_c 7.40137258 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrRe _chemical_formula_sum 'La1 Zr1 Re1' _cell_volume 72.20576324 _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 -0.00000002 1.93777727 0.27607135 1 Re Re1 1 1.67816432 0.96888864 2.61643013 1 Zr Zr2 1 0.00000000 0.00000000 4.50887110 1 [/CIF]
LaReZr
P3m1
156
trigonal
3m
9,574.623176
false
[CIF] data_YbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16286518 _cell_length_b 4.16286518 _cell_length_c 4.16286518 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbSe _chemical_formula_sum 'Yb1 Se1' _cell_volume 51.01078894 _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 Se Se0 1 0.00000000 0.00000000 0.00000000 1 Yb Yb1 1 2.94359020 2.94359020 2.94359020 1 [/CIF]
SeYb
Fm-3m
225
cubic
m-3m
8,204.977241
false
[CIF] data_Ag2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77430800 _cell_length_b 4.97040300 _cell_length_c 7.14682900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag2Se _chemical_formula_sum 'Ag8 Se4' _cell_volume 276.16379120 _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 Ag Ag0 1 7.57051229 1.24260075 1.84351739 1 Ag Ag1 1 0.20379571 3.72780225 5.30331161 1 Ag Ag2 1 1.63964820 1.24260075 4.38706669 1 Ag Ag3 1 4.09094971 3.72780225 5.41693189 1 Ag Ag4 1 2.24750580 3.72780225 0.81365219 1 Ag Ag5 1 6.13465980 3.72780225 2.75976231 1 Ag Ag6 1 5.52680220 1.24260075 6.33317681 1 Ag Ag7 1 3.68335829 1.24260075 1.72989711 1 Se Se8 1 2.20404742 3.72780225 3.68160320 1 Se Se9 1 6.09120142 3.72780225 7.03864030 1 Se Se10 1 1.68310658 1.24260075 0.10818870 1 Se Se11 1 5.57026058 1.24260075 3.46522580 1 [/CIF]
Ag8Se4
Pnma
62
orthorhombic
mmm
7,087.893498
false
[CIF] data_HfNb2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95526922 _cell_length_b 2.95526922 _cell_length_c 9.40985049 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNb2Tl _chemical_formula_sum 'Hf1 Nb2 Tl1' _cell_volume 82.18202233 _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 0.00000000 0.00000000 0.00000000 1 Nb Nb1 1 1.47763461 1.47763461 2.34293825 1 Nb Nb2 1 1.47763461 1.47763461 7.06691224 1 Tl Tl3 1 0.00000000 0.00000000 4.70492525 1 [/CIF]
HfNb2Tl
P4/mmm
123
tetragonal
4/mmm
11,490.656868
false
[CIF] data_BMo2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99689591 _cell_length_b 2.99689591 _cell_length_c 7.04771847 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.67935287 _symmetry_Int_Tables_number 1 _chemical_formula_structural BMo2Se _chemical_formula_sum 'B1 Mo2 Se1' _cell_volume 58.40386727 _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 1.66108404 0.00000000 1.37342646 1 Mo Mo2 1 1.66108404 0.00000000 5.67429201 1 Se Se3 1 0.00000000 0.00000000 3.52385923 1 [/CIF]
BMo2Se
Cmmm
65
orthorhombic
mmm
8,009.040019
false
[CIF] data_Rb3BeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40447062 _cell_length_b 6.40447062 _cell_length_c 6.40447062 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb3BeS _chemical_formula_sum 'Rb3 Be1 S1' _cell_volume 262.69373361 _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 S S1 1 3.20223531 3.20223531 3.20223531 1 Rb Rb2 1 3.20223531 0.00000000 3.20223531 1 Rb Rb3 1 3.20223531 3.20223531 0.00000000 1 Rb Rb4 1 0.00000000 3.20223531 3.20223531 1 [/CIF]
BeRb3S
Pm-3m
221
cubic
m-3m
1,880.433618
false
[CIF] data_ZnCdHgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68424122 _cell_length_b 4.68424122 _cell_length_c 4.68424122 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCdHgPt _chemical_formula_sum 'Zn1 Cd1 Hg1 Pt1' _cell_volume 72.67796458 _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 1.65612936 1.65612937 1.65612937 1 Hg Hg1 1 3.31225873 3.31225873 3.31225873 1 Pt Pt2 1 4.96838809 4.96838809 4.96838809 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdHgPtZn
F-43m
216
cubic
-43m
13,102.47255
false