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_Ti2AgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51390754 _cell_length_b 4.51390754 _cell_length_c 4.51390754 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2AgPd _chemical_formula_sum 'Ti2 Ag1 Pd1' _cell_volume 65.03437618 _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 4.78772195 4.78772195 4.78772195 1 Pd Pd1 1 3.19181463 3.19181463 3.19181463 1 Ti Ti2 1 1.59590731 1.59590731 1.59590732 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgPdTi2
F-43m
216
cubic
-43m
7,915.874725
false
[CIF] data_PmH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39350962 _cell_length_b 3.39350962 _cell_length_c 3.34999100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PmH _chemical_formula_sum 'Pm1 H1' _cell_volume 33.40968973 _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 H H0 1 0.00000000 0.00000000 0.00000000 1 Pm Pm1 1 1.69675480 0.97962186 1.67499550 1 [/CIF]
HPm
P-6m2
187
hexagonal
-6m2
7,256.933791
false
[CIF] data_HfCoBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31800375 _cell_length_b 6.23217571 _cell_length_c 3.16978597 _cell_angle_alpha 76.87685285 _cell_angle_beta 73.87424860 _cell_angle_gamma 29.24889855 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCoBr _chemical_formula_sum 'Hf1 Co1 Br1' _cell_volume 58.55224747 _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 2.11782741 2.35846352 11.57670289 1 Co Co1 1 2.11782741 2.35846352 8.19253245 1 Hf Hf2 1 2.11782741 2.35846352 3.67595901 1 [/CIF]
BrCoHf
Fmm2
42
orthorhombic
mm2
8,999.384771
false
[CIF] data_TiMnCr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.28225019 _cell_length_b 8.28225019 _cell_length_c 8.28225019 _cell_angle_alpha 18.58776508 _cell_angle_beta 18.58776508 _cell_angle_gamma 18.58776508 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMnCr2 _chemical_formula_sum 'Ti1 Mn1 Cr2' _cell_volume 50.42971657 _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 5.93996156 1 Cr Cr1 1 -0.00000000 0.00000000 18.47093502 1 Mn Mn2 1 -0.00000000 0.00000000 12.20544829 1 Ti Ti3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Cr2MnTi
R-3m
166
trigonal
-3m
6,809.376052
false
[CIF] data_NbZn2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.83509930 _cell_length_b 2.83509930 _cell_length_c 7.56649521 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZn2Ir _chemical_formula_sum 'Nb1 Zn2 Ir1' _cell_volume 60.81788471 _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 3.78324761 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.41754965 1.41754965 2.04706912 1 Zn Zn3 1 1.41754965 1.41754965 5.51942609 1 [/CIF]
IrNbZn2
P4/mmm
123
tetragonal
4/mmm
11,355.057857
false
[CIF] data_TcHg2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91545017 _cell_length_b 4.16886725 _cell_length_c 6.19821471 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcHg2Au _chemical_formula_sum 'Tc1 Hg2 Au1' _cell_volume 75.33387471 _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 0.00000000 0.00000000 3.09910735 1 Hg Hg1 1 1.45772509 2.08443363 4.70693051 1 Hg Hg2 1 1.45772509 2.08443363 1.49128420 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuHg2Tc
Pmmm
47
orthorhombic
mmm
15,364.712872
false
[CIF] data_CuSi2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91676639 _cell_length_b 4.91676639 _cell_length_c 4.91676639 _cell_angle_alpha 125.71323830 _cell_angle_beta 125.71323830 _cell_angle_gamma 80.35996528 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSi2Bi _chemical_formula_sum 'Cu1 Si2 Bi1' _cell_volume 75.60501864 _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 2.24312122 -0.00000000 1.87825758 1 Cu Cu1 1 0.00000000 0.00000000 3.75651516 1 Si Si2 1 0.00000000 2.24312122 1.87825758 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCuSi2
I-4m2
119
tetragonal
-42m
7,219.294216
false
[CIF] data_FeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64751014 _cell_length_b 3.64751014 _cell_length_c 7.42558559 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeTe _chemical_formula_sum 'Fe2 Te2' _cell_volume 85.55676507 _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 Fe Fe0 1 1.82375507 1.05294548 6.85850802 1 Fe Fe1 1 -0.00000000 2.10589096 0.56707757 1 Te Te2 1 1.82375507 1.05294548 2.00978397 1 Te Te3 1 -0.00000000 2.10589096 5.41580162 1 [/CIF]
Fe2Te2
P-3m1
164
trigonal
-3m
7,120.829983
false
[CIF] data_KOs2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.38251847 _cell_length_b 10.38251847 _cell_length_c 10.38251847 _cell_angle_alpha 15.66625459 _cell_angle_beta 15.66625459 _cell_angle_gamma 15.66625459 _symmetry_Int_Tables_number 1 _chemical_formula_structural KOs2W _chemical_formula_sum 'K1 Os2 W1' _cell_volume 71.11657520 _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 Os Os1 1 0.00000000 0.00000000 23.47540889 1 Os Os2 1 0.00000000 0.00000000 7.28402777 1 W W3 1 -0.00000000 -0.00000000 15.37971833 1 [/CIF]
KOs2W
R-3m
166
trigonal
-3m
14,089.070611
false
[CIF] data_TbCeMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03666079 _cell_length_b 5.03666079 _cell_length_c 5.03666079 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbCeMo2 _chemical_formula_sum 'Tb1 Ce1 Mo2' _cell_volume 90.34686996 _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 Ce Ce0 1 -0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 1.78072850 1.78072850 1.78072850 1 Mo Mo2 1 5.34218550 5.34218550 5.34218550 1 Tb Tb3 1 3.56145700 3.56145700 3.56145700 1 [/CIF]
CeMo2Tb
Fm-3m
225
cubic
m-3m
9,023.671791
false
[CIF] data_VAuSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69677368 _cell_length_b 4.69677368 _cell_length_c 4.69677368 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VAuSe2 _chemical_formula_sum 'V1 Au1 Se2' _cell_volume 73.26286593 _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 3.32112052 3.32112052 3.32112052 1 Se Se1 1 4.98168078 4.98168078 4.98168078 1 Se Se2 1 1.66056026 1.66056026 1.66056026 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuSe2V
Fm-3m
225
cubic
m-3m
9,198.293765
false
[CIF] data_PRh2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01171663 _cell_length_b 3.01171663 _cell_length_c 7.39497204 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 94.09137959 _symmetry_Int_Tables_number 1 _chemical_formula_structural PRh2Pb _chemical_formula_sum 'P1 Rh2 Pb1' _cell_volume 66.90468813 _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 Pb Pb1 1 0.00000000 0.00000000 3.69748602 1 Rh Rh2 1 2.05222869 0.00000000 6.04510257 1 Rh Rh3 1 2.05222869 0.00000000 1.34986947 1 [/CIF]
PPbRh2
Cmmm
65
orthorhombic
mmm
11,019.467588
false
[CIF] data_V3ReMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43508850 _cell_length_b 4.43508850 _cell_length_c 4.43508850 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3ReMo _chemical_formula_sum 'V3 Re1 Mo1' _cell_volume 87.23823516 _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 2.21754425 2.21754425 2.21754425 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.00000000 2.21754425 0.00000000 1 V V3 1 0.00000000 0.00000000 2.21754425 1 V V4 1 2.21754425 0.00000000 0.00000000 1 [/CIF]
MoReV3
Pm-3m
221
cubic
m-3m
8,279.860065
false
[CIF] data_HfCu2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67484448 _cell_length_b 4.67484448 _cell_length_c 4.67484448 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCu2Te _chemical_formula_sum 'Hf1 Cu2 Te1' _cell_volume 72.24145823 _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 1.65280712 1.65280712 1.65280711 1 Cu Cu1 1 4.95842135 4.95842135 4.95842135 1 Hf Hf2 1 3.30561423 3.30561423 3.30561423 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2HfTe
Fm-3m
225
cubic
m-3m
9,957.10291
false
[CIF] data_InHg4P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05082913 _cell_length_b 6.05082913 _cell_length_c 6.05082913 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InHg4P _chemical_formula_sum 'In1 Hg4 P1' _cell_volume 156.64973673 _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 5.35159371 5.35159371 3.20557091 1 Hg Hg1 1 5.35159371 3.20557091 5.35159371 1 Hg Hg2 1 3.20557091 5.35159371 5.35159371 1 Hg Hg3 1 3.20557091 3.20557091 3.20557091 1 In In4 1 6.41787346 6.41787346 6.41787346 1 P P5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hg4InP
F-43m
216
cubic
-43m
10,050.722553
false
[CIF] data_Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70087845 _cell_length_b 2.70087845 _cell_length_c 2.70087845 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re _chemical_formula_sum Re1 _cell_volume 15.16677445 _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 0.00000000 0.00000000 1 [/CIF]
Re
Im-3m
229
cubic
m-3m
20,386.931912
false
[CIF] data_BaTiTcNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66876173 _cell_length_b 4.66876173 _cell_length_c 4.66876173 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiTcNi _chemical_formula_sum 'Ba1 Ti1 Tc1 Ni1' _cell_volume 71.95983079 _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 1.65065654 1.65065654 1.65065654 1 Ni Ni1 1 4.95196962 4.95196962 4.95196962 1 Tc Tc2 1 3.30131308 3.30131308 3.30131308 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaNiTcTi
F-43m
216
cubic
-43m
7,910.276585
false
[CIF] data_KLiCaRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22971663 _cell_length_b 5.22971663 _cell_length_c 5.22971663 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiCaRh _chemical_formula_sum 'K1 Li1 Ca1 Rh1' _cell_volume 101.13919055 _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 5.54695214 5.54695214 5.54695214 1 K K1 1 1.84898405 1.84898405 1.84898404 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 3.69796809 3.69796809 3.69796809 1 [/CIF]
CaKLiRh
F-43m
216
cubic
-43m
3,103.443306
false
[CIF] data_K2BaMn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31221173 _cell_length_b 4.31221173 _cell_length_c 10.98033758 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2BaMn _chemical_formula_sum 'K2 Ba1 Mn1' _cell_volume 204.18124401 _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 2.15610586 2.15610586 7.44487784 1 K K1 1 0.00000000 0.00000000 10.91274910 1 K K2 1 2.15610586 2.15610586 3.37918879 1 Mn Mn3 1 0.00000000 0.00000000 5.71402823 1 [/CIF]
BaK2Mn
P4mm
99
tetragonal
4mm
2,199.575822
false
[CIF] data_BaTlIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15757148 _cell_length_b 7.11894849 _cell_length_c 3.95476305 _cell_angle_alpha 74.45646724 _cell_angle_beta 73.38111896 _cell_angle_gamma 32.16241381 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTlIn _chemical_formula_sum 'Ba1 Tl1 In1' _cell_volume 102.65640054 _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 2.74670246 2.84530778 0.00275648 1 In In1 1 2.74670246 2.84530778 9.01156602 1 Tl Tl2 1 2.74670246 2.84530778 4.12113383 1 [/CIF]
BaInTl
Fmm2
42
orthorhombic
mm2
7,384.664504
false
[CIF] data_SrInPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66153600 _cell_length_b 4.56854600 _cell_length_c 8.62549200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrInPt _chemical_formula_sum 'Sr4 In4 Pt4' _cell_volume 301.91015798 _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 Sr Sr0 1 7.42902371 3.42640950 2.77199162 1 Sr Sr1 1 0.23251229 1.14213650 5.85350038 1 Sr Sr2 1 3.59825571 3.42640950 1.54075438 1 Sr Sr3 1 4.06328029 1.14213650 7.08473762 1 In In4 1 2.70135033 3.42640950 4.87089296 1 In In5 1 1.12941767 1.14213650 0.55814696 1 In In6 1 4.96018567 1.14213650 3.75459904 1 In In7 1 6.53211833 3.42640950 8.06734504 1 Pt Pt8 1 5.95833058 1.14213650 1.03967368 1 Pt Pt9 1 2.12756258 1.14213650 3.27307232 1 Pt Pt10 1 5.53397342 3.42640950 5.35241968 1 Pt Pt11 1 1.70320542 3.42640950 7.58581832 1 [/CIF]
In4Pt4Sr4
Pnma
62
orthorhombic
mmm
8,745.658844
false
[CIF] data_CoOs2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75978898 _cell_length_b 3.75978898 _cell_length_c 3.77453015 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoOs2Ru _chemical_formula_sum 'Co1 Os2 Ru1' _cell_volume 53.35680793 _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 Os Os1 1 0.00000000 1.87989449 1.88726508 1 Os Os2 1 1.87989449 0.00000000 1.88726508 1 Ru Ru3 1 1.87989449 1.87989449 0.00000000 1 [/CIF]
CoOs2Ru
P4/mmm
123
tetragonal
4/mmm
16,819.976386
false
[CIF] data_BaOs2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99090570 _cell_length_b 4.99090570 _cell_length_c 4.99090570 _cell_angle_alpha 126.69796716 _cell_angle_beta 126.69796716 _cell_angle_gamma 78.74397833 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaOs2Pt _chemical_formula_sum 'Ba1 Os2 Pt1' _cell_volume 77.34526226 _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 2.23869605 0.00000000 1.92909433 1 Os Os2 1 0.00000000 -0.00000000 3.85818865 1 Pt Pt3 1 0.00000000 2.23869605 1.92909433 1 [/CIF]
BaOs2Pt
I-4m2
119
tetragonal
-42m
15,304.753134
false
[CIF] data_GaCoRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23610959 _cell_length_b 4.23610959 _cell_length_c 2.94712696 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaCoRu2 _chemical_formula_sum 'Ga1 Co1 Ru2' _cell_volume 52.88508653 _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 Ga Ga1 1 2.11805479 2.11805479 0.00000000 1 Ru Ru2 1 2.11805479 0.00000000 1.47356348 1 Ru Ru3 1 0.00000000 2.11805479 1.47356348 1 [/CIF]
CoGaRu2
P4/mmm
123
tetragonal
4/mmm
10,386.671195
false
[CIF] data_VCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29873800 _cell_length_b 3.29873800 _cell_length_c 3.29873800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCd _chemical_formula_sum 'V1 Cd1' _cell_volume 35.89578623 _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 1.64936900 1.64936900 1.64936900 1 V V1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdV
Pm-3m
221
cubic
m-3m
7,556.686631
false
[CIF] data_Li2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31296848 _cell_length_b 5.31296848 _cell_length_c 6.06712375 _cell_angle_alpha 119.34659638 _cell_angle_beta 119.34659638 _cell_angle_gamma 61.04042321 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mg _chemical_formula_sum 'Li4 Mg2' _cell_volume 123.23316584 _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 Li Li0 1 5.23728803 0.45420620 1.23740796 1 Li Li1 1 2.19058849 0.45420620 1.25738306 1 Li Li2 1 3.51145043 -0.45420620 3.73219898 1 Li Li3 1 0.46475089 -0.45420620 3.75217408 1 Mg Mg4 1 1.98810066 2.23332029 3.74218653 1 Mg Mg5 1 3.71393826 -2.23332029 1.24739551 1 [/CIF]
Li8Mg4
C2/c
15
monoclinic
2/m
1,029.122394
false
[CIF] data_BaC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54386982 _cell_length_b 4.54386982 _cell_length_c 4.54386982 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaC2 _chemical_formula_sum 'Ba1 C2' _cell_volume 66.33804104 _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 C C1 1 4.81950174 4.81950174 4.81950174 1 C C2 1 1.60650058 1.60650058 1.60650058 1 [/CIF]
C8Ba4
Fm-3m
225
cubic
m-3m
4,038.788564
false
[CIF] data_PuMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19385778 _cell_length_b 3.19385778 _cell_length_c 5.68770100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PuMg _chemical_formula_sum 'Pu1 Mg1' _cell_volume 50.24565795 _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 Pu Pu1 1 1.59692891 0.92198732 2.84385050 1 [/CIF]
MgPu
P-6m2
187
hexagonal
-6m2
8,866.943485
false
[CIF] data_Sc5Co3Si2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.62479926 _cell_length_b 7.62479926 _cell_length_c 6.16642513 _cell_angle_alpha 101.64359602 _cell_angle_beta 101.64359602 _cell_angle_gamma 95.63428854 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Co3Si2 _chemical_formula_sum 'Sc10 Co6 Si4' _cell_volume 340.27341138 _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 Co Co0 1 1.46446822 1.91234508 5.68451646 1 Co Co1 1 5.99558351 1.91234508 3.13745571 1 Co Co2 1 6.92226244 -1.91234508 0.19679832 1 Co Co3 1 2.39114715 -1.91234508 2.74385907 1 Co Co4 1 4.65670480 -5.09807554 1.47032870 1 Co Co5 1 3.73002587 5.09807554 4.41098609 1 Sc Sc6 1 1.01229226 0.35339256 3.57322879 1 Sc Sc7 1 6.44775947 0.35339256 5.24874338 1 Sc Sc8 1 7.37443840 -0.35339256 2.30808599 1 Sc Sc9 1 1.93897119 -0.35339256 0.63257140 1 Sc Sc10 1 4.65670480 3.65638594 1.47032870 1 Sc Sc11 1 3.73002587 -3.65638594 4.41098609 1 Sc Sc12 1 4.65670479 0.58301051 1.47032870 1 Sc Sc13 1 3.73002587 -0.58301051 4.41098609 1 Sc Sc14 1 4.65670480 -2.54591015 1.47032870 1 Sc Sc15 1 3.73002587 2.54591015 4.41098609 1 Si Si16 1 6.18928369 -2.19557848 4.04310949 1 Si Si17 1 1.27076804 -2.19557848 4.77886268 1 Si Si18 1 2.19744697 2.19557848 1.83820529 1 Si Si19 1 7.11596262 2.19557848 1.10245210 1 [/CIF]
Co6Sc10Si4
C2/c
15
monoclinic
2/m
4,467.654381
false
[CIF] data_ZnPt2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66092086 _cell_length_b 4.66092086 _cell_length_c 4.66092086 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnPt2Pb _chemical_formula_sum 'Zn1 Pt2 Pb1' _cell_volume 71.59788446 _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 3.29576875 3.29576875 3.29576875 1 Pt Pt1 1 4.94365312 4.94365312 4.94365313 1 Pt Pt2 1 1.64788437 1.64788437 1.64788438 1 Zn Zn3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
PbPt2Zn
Fm-3m
225
cubic
m-3m
15,370.830487
false
[CIF] data_In2PdCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46002300 _cell_length_b 5.46002300 _cell_length_c 5.46002300 _cell_angle_alpha 137.50827891 _cell_angle_beta 114.51061457 _cell_angle_gamma 81.24342747 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2PdCl _chemical_formula_sum 'In2 Pd1 Cl1' _cell_volume 96.86493117 _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 In In1 1 -0.00000000 2.95330768 1.87171822 1 In In2 1 1.97855237 -0.00000000 2.27257369 1 Pd Pd3 1 0.00000000 0.00000000 4.14429191 1 [/CIF]
ClIn2Pd
Immm
71
orthorhombic
mmm
6,368.715702
false
[CIF] data_NbTlBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02432199 _cell_length_b 5.02432199 _cell_length_c 5.02432199 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTlBi _chemical_formula_sum 'Nb1 Tl1 Bi1' _cell_volume 89.68450056 _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 5.32909823 5.32909823 5.32909823 1 Nb Nb1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 3.55273215 3.55273215 3.55273215 1 [/CIF]
BiNbTl
F-43m
216
cubic
-43m
9,373.762923
false
[CIF] data_LiYCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67679053 _cell_length_b 5.67679053 _cell_length_c 5.67679053 _cell_angle_alpha 141.48562845 _cell_angle_beta 141.48562845 _cell_angle_gamma 55.60437673 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYCd _chemical_formula_sum 'Li1 Y1 Cd1' _cell_volume 70.40809197 _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 9.89709039 1 Li Li1 1 0.00000000 -0.00000000 3.51761377 1 Y Y2 1 0.00000000 0.00000000 6.67121495 1 [/CIF]
CdLiY
I4mm
107
tetragonal
4mm
4,911.655552
false
[CIF] data_LiSb2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31145830 _cell_length_b 5.31145830 _cell_length_c 5.31145830 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSb2Te _chemical_formula_sum 'Li1 Sb2 Te1' _cell_volume 105.95618919 _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 Sb Sb1 1 3.75576818 3.75576818 3.75576818 1 Sb Sb2 1 1.87788409 1.87788409 1.87788409 1 Te Te3 1 5.63365227 5.63365227 5.63365227 1 [/CIF]
LiSb2Te
F-43m
216
cubic
-43m
5,924.949405
false
[CIF] data_ZrCdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43597944 _cell_length_b 5.43597944 _cell_length_c 5.43597944 _cell_angle_alpha 142.45227628 _cell_angle_beta 142.45227628 _cell_angle_gamma 54.14810749 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCdW _chemical_formula_sum 'Zr1 Cd1 W1' _cell_volume 59.25856705 _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 0.07170090 1 W W1 1 0.00000000 0.00000000 6.51247300 1 Zr Zr2 1 0.00000000 0.00000000 3.09642492 1 [/CIF]
CdWZr
I4mm
107
tetragonal
4mm
10,857.79503
false
[CIF] data_MnZnRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.95926984 _cell_length_b 2.95926984 _cell_length_c 6.26190208 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnZnRe2 _chemical_formula_sum 'Mn1 Zn1 Re2' _cell_volume 54.83721724 _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 4.73791204 1 Re Re1 1 1.47963492 1.47963492 6.09611296 1 Re Re2 1 0.00000000 0.00000000 1.57079789 1 Zn Zn3 1 1.47963492 1.47963492 3.24993231 1 [/CIF]
MnRe2Zn
P4mm
99
tetragonal
4mm
14,920.538484
false
[CIF] data_Si2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71883096 _cell_length_b 4.71883096 _cell_length_c 16.77966494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2Mo _chemical_formula_sum 'Si16 Mo8' _cell_volume 323.58080854 _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 Mo Mo0 1 0.00000000 0.00000000 9.80401827 1 Mo Mo1 1 0.00000000 0.00000000 6.97564667 1 Mo Mo2 1 0.00000000 0.00000000 1.41418580 1 Mo Mo3 1 0.00000000 0.00000000 15.36547914 1 Mo Mo4 1 0.00000000 2.72441832 5.67416015 1 Mo Mo5 1 2.35941548 1.36220916 11.10550479 1 Mo Mo6 1 2.35941548 1.36220916 14.06399262 1 Mo Mo7 1 -0.00000000 2.72441832 2.71567232 1 Si Si8 1 0.00000000 2.72441832 10.50518392 1 Si Si9 1 2.35941548 1.36220916 6.27448102 1 Si Si10 1 2.35941548 1.36220916 2.11535145 1 Si Si11 1 -0.00000000 2.72441832 14.66431349 1 Si Si12 1 1.17970774 2.04331374 8.38983247 1 Si Si13 1 2.35941548 0.00000000 8.38983247 1 Si Si14 1 -1.17970774 2.04331374 8.38983247 1 Si Si15 1 1.17970774 2.04331374 0.00000000 1 Si Si16 1 2.35941548 0.00000000 0.00000000 1 Si Si17 1 -1.17970774 2.04331374 0.00000000 1 Si Si18 1 -1.20945302 3.42269635 12.58474870 1 Si Si19 1 -0.00000000 1.32786227 12.58474870 1 Si Si20 1 1.20945302 3.42269635 12.58474870 1 Si Si21 1 3.56886850 0.66393113 4.19491623 1 Si Si22 1 2.35941548 2.75876521 4.19491623 1 Si Si23 1 1.14996246 0.66393113 4.19491623 1 [/CIF]
Mo8Si16
P6_3/mmc
194
hexagonal
6/mmm
6,245.59831
false
[CIF] data_TcBRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75666564 _cell_length_b 3.72269313 _cell_length_c 5.02601170 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.11114110 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcBRu2 _chemical_formula_sum 'Tc1 B1 Ru2' _cell_volume 50.02165250 _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 Ru Ru1 1 0.69679015 1.86134657 1.10058932 1 Ru Ru2 1 0.83451575 1.86134657 3.77376061 1 Tc Tc3 1 -0.61267987 0.00000000 2.43717496 1 [/CIF]
BRu2Tc
P2/m
10
monoclinic
2/m
10,352.538108
false
[CIF] data_NaSrAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36786075 _cell_length_b 5.36786075 _cell_length_c 3.85743297 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrAl2 _chemical_formula_sum 'Na1 Sr1 Al2' _cell_volume 111.14779984 _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 2.68393038 0.00000000 1.92871649 1 Al Al1 1 0.00000000 2.68393038 1.92871649 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 2.68393038 2.68393038 0.00000000 1 [/CIF]
Al2NaSr
P4/mmm
123
tetragonal
4/mmm
2,458.704907
false
[CIF] data_Ti2NbBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64493318 _cell_length_b 4.64493318 _cell_length_c 4.64493318 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2NbBr _chemical_formula_sum 'Ti2 Nb1 Br1' _cell_volume 70.86363315 _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 3.28446375 3.28446375 3.28446375 1 Nb Nb1 1 4.92669562 4.92669562 4.92669562 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 1.64223188 1.64223188 1.64223187 1 [/CIF]
BrNbTi2
F-43m
216
cubic
-43m
6,292.768438
false
[CIF] data_TaInBiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97563362 _cell_length_b 4.97563362 _cell_length_c 4.97563362 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaInBiPd _chemical_formula_sum 'Ta1 In1 Bi1 Pd1' _cell_volume 87.10241208 _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 5.27745640 5.27745641 5.27745641 1 In In1 1 3.51830427 3.51830427 3.51830427 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 1.75915213 1.75915213 1.75915213 1 [/CIF]
BiInPdTa
F-43m
216
cubic
-43m
11,651.405051
false
[CIF] data_YZrAlBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21354829 _cell_length_b 5.21354829 _cell_length_c 5.21354829 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZrAlBi _chemical_formula_sum 'Y1 Zr1 Al1 Bi1' _cell_volume 100.20403356 _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 Bi Bi1 1 5.52980303 5.52980303 5.52980303 1 Y Y2 1 1.84326768 1.84326768 1.84326767 1 Zr Zr3 1 3.68653535 3.68653535 3.68653535 1 [/CIF]
AlBiYZr
F-43m
216
cubic
-43m
6,895.297981
false
[CIF] data_Li2ScNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98805127 _cell_length_b 2.98805127 _cell_length_c 8.82986473 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2ScNb _chemical_formula_sum 'Li2 Sc1 Nb1' _cell_volume 78.83700921 _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 1.49402564 1.49402564 0.15228762 1 Li Li1 1 0.00000000 0.00000000 2.19331544 1 Nb Nb2 1 1.49402564 1.49402564 4.40590109 1 Sc Sc3 1 0.00000000 0.00000000 6.49329295 1 [/CIF]
Li2NbSc
P4mm
99
tetragonal
4mm
3,196.180671
false
[CIF] data_Pm2GdO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93970529 _cell_length_b 6.93970529 _cell_length_c 6.93970529 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pm2GdO4 _chemical_formula_sum 'Pm4 Gd2 O8' _cell_volume 236.32413883 _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 Gd Gd0 1 0.00000000 0.00000000 0.00000000 1 Gd Gd1 1 2.45355633 2.45355633 2.45355633 1 O O2 1 3.72122941 6.09299592 6.09299592 1 O O3 1 3.72122941 3.72122941 3.72122941 1 O O4 1 6.09299592 3.72122941 6.09299592 1 O O5 1 6.17478575 6.17478575 8.54655225 1 O O6 1 6.09299592 6.09299592 3.72122941 1 O O7 1 6.17478575 8.54655225 6.17478575 1 O O8 1 8.54655225 8.54655225 8.54655225 1 O O9 1 8.54655225 6.17478575 6.17478575 1 Pm Pm10 1 3.68033450 3.68033450 6.13389083 1 Pm Pm11 1 6.13389083 3.68033450 3.68033450 1 Pm Pm12 1 3.68033450 6.13389083 3.68033450 1 Pm Pm13 1 6.13389083 6.13389083 6.13389083 1 [/CIF]
Gd2O8Pm4
Fd-3m
227
cubic
m-3m
7,184.59519
false
[CIF] data_ReBiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11566265 _cell_length_b 3.11566265 _cell_length_c 7.55904824 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReBiPt2 _chemical_formula_sum 'Re1 Bi1 Pt2' _cell_volume 73.37835527 _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 1.55783132 1.55783132 5.62751450 1 Pt Pt1 1 0.00000000 0.00000000 0.24680194 1 Pt Pt2 1 1.55783132 1.55783132 2.00067711 1 Re Re3 1 0.00000000 0.00000000 3.46357881 1 [/CIF]
BiPt2Re
P4mm
99
tetragonal
4mm
17,772.452355
false
[CIF] data_SrTiNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30359933 _cell_length_b 3.30359933 _cell_length_c 7.06592355 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTiNi2 _chemical_formula_sum 'Sr1 Ti1 Ni2' _cell_volume 77.11585410 _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 1.65179966 1.65179966 7.01395389 1 Ni Ni1 1 0.00000000 0.00000000 1.24169856 1 Sr Sr2 1 1.65179966 1.65179966 3.32158842 1 Ti Ti3 1 0.00000000 0.00000000 6.08756800 1 [/CIF]
Ni2SrTi
P4mm
99
tetragonal
4mm
5,445.14262
false
[CIF] data_In2CoHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28825182 _cell_length_b 4.04376221 _cell_length_c 6.07966339 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2CoHg _chemical_formula_sum 'In2 Co1 Hg1' _cell_volume 80.84072748 _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 Hg Hg1 1 0.00000000 0.00000000 3.03983169 1 In In2 1 1.64412591 2.02188110 4.69369742 1 In In3 1 1.64412591 2.02188110 1.38596597 1 [/CIF]
CoHgIn2
Pmmm
47
orthorhombic
mmm
10,047.7566
false
[CIF] data_AlTl2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03460875 _cell_length_b 5.03460875 _cell_length_c 3.56391889 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTl2Cu _chemical_formula_sum 'Al1 Tl2 Cu1' _cell_volume 90.33566877 _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 Cu Cu1 1 2.51730438 2.51730438 0.00000000 1 Tl Tl2 1 2.51730438 0.00000000 1.78195945 1 Tl Tl3 1 0.00000000 2.51730438 1.78195945 1 [/CIF]
AlCuTl2
P4/mmm
123
tetragonal
4/mmm
9,177.96297
false
[CIF] data_HfNiAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19680076 _cell_length_b 4.37053041 _cell_length_c 4.85526432 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNiAg2 _chemical_formula_sum 'Hf1 Ni1 Ag2' _cell_volume 67.83636902 _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 2.18526521 2.42763216 1 Ag Ag1 1 1.59840038 0.00000000 2.42763216 1 Hf Hf2 1 1.59840038 2.18526521 0.00000000 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ag2HfNi
Pmmm
47
orthorhombic
mmm
11,086.840773
false
[CIF] data_AlSbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75932112 _cell_length_b 3.75932112 _cell_length_c 8.23636693 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 122.86539614 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSbSe2 _chemical_formula_sum 'Al1 Sb1 Se2' _cell_volume 97.77026949 _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 Sb Sb1 1 0.00000000 0.00000000 4.11818346 1 Se Se2 1 1.79767249 -0.00000000 6.54080191 1 Se Se3 1 1.79767249 -0.00000000 1.69556502 1 [/CIF]
AlSbSe2
Cmmm
65
orthorhombic
mmm
5,208.367203
false
[CIF] data_KBaRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65543900 _cell_length_b 3.65543900 _cell_length_c 9.51878884 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaRh2 _chemical_formula_sum 'K1 Ba1 Rh2' _cell_volume 127.19228657 _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 1.82771950 1.82771950 3.76889200 1 K K1 1 0.00000000 0.00000000 7.95702602 1 Rh Rh2 1 1.82771950 1.82771950 0.97515851 1 Rh Rh3 1 0.00000000 0.00000000 1.57710673 1 [/CIF]
BaKRh2
P4mm
99
tetragonal
4mm
4,990.22642
false
[CIF] data_BaCaTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06315706 _cell_length_b 4.06315706 _cell_length_c 8.30167442 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCaTl2 _chemical_formula_sum 'Ba1 Ca1 Tl2' _cell_volume 137.05437902 _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 4.15083721 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 2.03157853 2.03157853 1.78437385 1 Tl Tl3 1 2.03157853 2.03157853 6.51730057 1 [/CIF]
BaCaTl2
P4/mmm
123
tetragonal
4/mmm
7,102.03451
false
[CIF] data_S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38816852 _cell_length_b 3.38816852 _cell_length_c 3.45532982 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S _chemical_formula_sum S2 _cell_volume 34.35185111 _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 S S0 1 -0.00000000 1.95616000 0.86383246 1 S S1 1 1.69408426 0.97808000 2.59149737 1 [/CIF]
S2
P6_3/mmc
194
hexagonal
6/mmm
3,099.989287
false
[CIF] data_TiInNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32950958 _cell_length_b 4.32950958 _cell_length_c 4.32950958 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiInNi2 _chemical_formula_sum 'Ti1 In1 Ni2' _cell_volume 57.38536068 _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 3.06142558 3.06142558 3.06142558 1 Ni Ni1 1 4.59213837 4.59213837 4.59213837 1 Ni Ni2 1 1.53071279 1.53071279 1.53071279 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InNi2Ti
Fm-3m
225
cubic
m-3m
8,104.334621
false
[CIF] data_Cr2BiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00958374 _cell_length_b 3.00958374 _cell_length_c 6.27949696 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2BiB _chemical_formula_sum 'Cr2 Bi1 B1' _cell_volume 56.87713580 _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 2.34538772 1 Bi Bi1 1 1.50479187 1.50479187 4.76315543 1 Cr Cr2 1 0.00000000 0.00000000 0.34361119 1 Cr Cr3 1 1.50479187 1.50479187 1.96709110 1 [/CIF]
BBiCr2
P4mm
99
tetragonal
4mm
9,452.925317
false
[CIF] data_CuTcIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31864052 _cell_length_b 4.31864052 _cell_length_c 4.31864052 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuTcIr2 _chemical_formula_sum 'Cu1 Tc1 Ir2' _cell_volume 56.95425418 _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 Ir Ir1 1 4.58061000 4.58061000 4.58061000 1 Ir Ir2 1 1.52687000 1.52687000 1.52687000 1 Tc Tc3 1 3.05374000 3.05374000 3.05374000 1 [/CIF]
CuIr2Tc
Fm-3m
225
cubic
m-3m
15,944.82999
false
[CIF] data_MnSi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57258001 _cell_length_b 4.57258001 _cell_length_c 4.57258001 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnSi4 _chemical_formula_sum 'Mn1 Si4' _cell_volume 73.59732840 _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 Si Si1 1 1.31999015 -1.31999015 1.31999015 1 Si Si2 1 1.31999015 1.31999015 1.31999015 1 Si Si3 1 1.31999015 1.31999015 -1.31999015 1 Si Si4 1 -1.31999015 1.31999015 1.31999015 1 [/CIF]
MnSi4
Im-3m
229
cubic
m-3m
3,774.254526
false
[CIF] data_Y2MnRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09545039 _cell_length_b 3.09545039 _cell_length_c 8.72589223 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2MnRe _chemical_formula_sum 'Y2 Mn1 Re1' _cell_volume 83.60986863 _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 4.80838145 1 Re Re1 1 1.54772520 1.54772520 6.04265463 1 Y Y2 1 0.00000000 0.00000000 8.18410839 1 Y Y3 1 1.54772520 1.54772520 2.77958611 1 [/CIF]
MnReY2
P4mm
99
tetragonal
4mm
8,320.716845
false
[CIF] data_Mg2NbTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28527035 _cell_length_b 3.28527035 _cell_length_c 6.95694710 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2NbTc _chemical_formula_sum 'Mg2 Nb1 Tc1' _cell_volume 75.08633890 _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 6.77911473 1 Mg Mg1 1 1.64263517 1.64263517 1.81573530 1 Nb Nb2 1 0.00000000 0.00000000 3.79305765 1 Tc Tc3 1 1.64263517 1.64263517 5.00446014 1 [/CIF]
Mg2NbTc
P4mm
99
tetragonal
4mm
5,316.960347
false
[CIF] data_Na2ReTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94121531 _cell_length_b 5.94121531 _cell_length_c 5.94121531 _cell_angle_alpha 140.43723531 _cell_angle_beta 140.43723531 _cell_angle_gamma 57.19001717 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ReTe _chemical_formula_sum 'Na2 Re1 Te1' _cell_volume 84.35986434 _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 2.01069841 -0.00000000 2.60826682 1 Na Na1 1 -0.00000000 2.01069841 2.60826682 1 Re Re2 1 0.00000000 -0.00000000 5.21653364 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Na2ReTe
I4/mmm
139
tetragonal
4/mmm
7,082.036079
false
[CIF] data_BaBeTcBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07051821 _cell_length_b 5.07051821 _cell_length_c 5.07051821 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBeTcBi _chemical_formula_sum 'Ba1 Be1 Tc1 Bi1' _cell_volume 92.18113312 _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 1.79269891 1.79269891 1.79269890 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Bi Bi2 1 5.37809671 5.37809671 5.37809671 1 Tc Tc3 1 3.58539781 3.58539781 3.58539781 1 [/CIF]
BaBeBiTc
F-43m
216
cubic
-43m
8,182.36477
false
[CIF] data_FePt2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86033741 _cell_length_b 3.86033741 _cell_length_c 3.92163973 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FePt2Rh _chemical_formula_sum 'Fe1 Pt2 Rh1' _cell_volume 58.44107888 _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 Pt Pt1 1 0.00000000 1.93016871 1.96081986 1 Pt Pt2 1 1.93016871 0.00000000 1.96081986 1 Rh Rh3 1 1.93016871 1.93016871 0.00000000 1 [/CIF]
FePt2Rh
P4/mmm
123
tetragonal
4/mmm
15,596.916265
false
[CIF] data_LiTi2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16716014 _cell_length_b 5.16716014 _cell_length_c 4.76017684 _cell_angle_alpha 111.04698383 _cell_angle_beta 111.04698383 _cell_angle_gamma 31.67960736 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTi2V _chemical_formula_sum 'Li1 Ti2 V1' _cell_volume 61.92083665 _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 7.19150655 0.00000000 0.90829628 1 Ti Ti1 1 0.00562481 0.00000000 0.22409391 1 Ti Ti2 1 1.13801140 0.00000000 3.08231078 1 V V3 1 3.91220367 0.00000000 2.40937517 1 [/CIF]
LiTi2V
Cm
8
monoclinic
m
4,119.553503
false
[CIF] data_CaCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33963348 _cell_length_b 4.33963348 _cell_length_c 4.33963348 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCo3 _chemical_formula_sum 'Ca1 Co3' _cell_volume 57.78886367 _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 0.00000000 0.00000000 0.00000000 1 Co Co1 1 1.53429213 1.53429213 1.53429213 1 Co Co2 1 3.06858426 3.06858426 3.06858426 1 Co Co3 1 4.60287639 4.60287639 4.60287639 1 [/CIF]
CaCo3
Fm-3m
225
cubic
m-3m
6,231.887594
false
[CIF] data_Ga2HgP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28718658 _cell_length_b 3.28718658 _cell_length_c 7.46597799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2HgP _chemical_formula_sum 'Ga2 Hg1 P1' _cell_volume 80.67433901 _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 1.64359329 1.64359329 1.46279735 1 Ga Ga1 1 1.64359329 1.64359329 6.00318064 1 Hg Hg2 1 0.00000000 0.00000000 3.73298899 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2HgP
P4/mmm
123
tetragonal
4/mmm
7,636.581985
false
[CIF] data_Tl2GaRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41278735 _cell_length_b 5.41278735 _cell_length_c 5.41278735 _cell_angle_alpha 133.52594102 _cell_angle_beta 133.52594102 _cell_angle_gamma 67.82938777 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2GaRe _chemical_formula_sum 'Tl2 Ga1 Re1' _cell_volume 81.94179890 _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 0.00000000 0.00000000 1 Re Re1 1 0.00000000 0.00000000 4.49190562 1 Tl Tl2 1 0.00000000 2.13553867 2.24595281 1 Tl Tl3 1 2.13553867 -0.00000000 2.24595281 1 [/CIF]
GaReTl2
I4/mmm
139
tetragonal
4/mmm
13,469.98341
false
[CIF] data_Ca2ZrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.67865866 _cell_length_b 10.67865866 _cell_length_c 10.67865866 _cell_angle_alpha 17.65515703 _cell_angle_beta 17.65515703 _cell_angle_gamma 17.65515703 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2ZrRu _chemical_formula_sum 'Ca2 Zr1 Ru1' _cell_volume 97.77135928 _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 -0.00000000 -0.00000000 24.15771893 1 Ca Ca1 1 0.00000000 0.00000000 7.37127143 1 Ru Ru2 1 0.00000000 0.00000000 15.76449518 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ca2RuZr
R-3m
166
trigonal
-3m
4,627.263769
false
[CIF] data_Li2NbGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.68262362 _cell_length_b 2.68262362 _cell_length_c 9.07022650 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2NbGe _chemical_formula_sum 'Li2 Nb1 Ge1' _cell_volume 65.27360824 _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 Li Li1 1 1.34131181 1.34131181 2.04587194 1 Li Li2 1 1.34131181 1.34131181 7.02435456 1 Nb Nb3 1 0.00000000 0.00000000 4.53511325 1 [/CIF]
GeLi2Nb
P4/mmm
123
tetragonal
4/mmm
4,564.598812
false
[CIF] data_La2SiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54421032 _cell_length_b 5.54421032 _cell_length_c 3.31193830 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2SiAs _chemical_formula_sum 'La2 Si1 As1' _cell_volume 101.80324712 _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 2.77210516 2.77210516 0.00000000 1 La La1 1 2.77210516 0.00000000 1.65596915 1 La La2 1 0.00000000 2.77210516 1.65596915 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AsLa2Si
P4/mmm
123
tetragonal
4/mmm
6,211.624142
false
[CIF] data_MgAlCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03571631 _cell_length_b 5.03571631 _cell_length_c 5.03571631 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAlCl2 _chemical_formula_sum 'Mg1 Al1 Cl2' _cell_volume 90.29605353 _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 3.56078915 3.56078915 3.56078915 1 Cl Cl1 1 5.34118373 5.34118373 5.34118373 1 Cl Cl2 1 1.78039458 1.78039458 1.78039458 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlCl2Mg
Fm-3m
225
cubic
m-3m
2,247.113534
false
[CIF] data_AsRh2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50639823 _cell_length_b 4.50639823 _cell_length_c 4.50639823 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsRh2Br _chemical_formula_sum 'As1 Rh2 Br1' _cell_volume 64.71034361 _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 3.18650475 3.18650475 3.18650475 1 Rh Rh2 1 1.59325237 1.59325237 1.59325237 1 Rh Rh3 1 4.77975712 4.77975712 4.77975712 1 [/CIF]
AsBrRh2
Fm-3m
225
cubic
m-3m
9,254.350994
false
[CIF] data_AlCdInPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78516197 _cell_length_b 4.78516197 _cell_length_c 4.78516197 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlCdInPt _chemical_formula_sum 'Al1 Cd1 In1 Pt1' _cell_volume 77.47738079 _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 Cd Cd1 1 5.07543072 5.07543072 5.07543072 1 In In2 1 1.69181024 1.69181024 1.69181024 1 Pt Pt3 1 3.38362048 3.38362048 3.38362048 1 [/CIF]
AlCdInPt
F-43m
216
cubic
-43m
9,629.53479
false
[CIF] data_RePd2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81448115 _cell_length_b 3.81448115 _cell_length_c 4.05958805 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RePd2Ru _chemical_formula_sum 'Re1 Pd2 Ru1' _cell_volume 59.06808762 _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 0.00000000 1.90724057 2.02979403 1 Pd Pd1 1 1.90724057 0.00000000 2.02979403 1 Re Re2 1 1.90724057 1.90724057 0.00000000 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pd2ReRu
P4/mmm
123
tetragonal
4/mmm
14,059.601391
false
[CIF] data_Ta2TeIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07490146 _cell_length_b 5.07490146 _cell_length_c 4.90399005 _cell_angle_alpha 106.12248175 _cell_angle_beta 106.12248175 _cell_angle_gamma 37.41186192 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2TeIr _chemical_formula_sum 'Ta2 Te1 Ir1' _cell_volume 73.36079971 _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 6.90367429 0.00000000 0.90521156 1 Ta Ta1 1 0.11429724 0.00000000 0.28725523 1 Ta Ta2 1 1.28793686 -0.00000000 3.31081536 1 Te Te3 1 3.95796855 0.00000000 2.52946497 1 [/CIF]
IrTa2Te
Cm
8
monoclinic
m
15,430.729689
false
[CIF] data_K2HgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87826369 _cell_length_b 3.87826369 _cell_length_c 9.93648991 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2HgBi _chemical_formula_sum 'K2 Hg1 Bi1' _cell_volume 149.45404172 _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 4.96824496 1 Hg Hg1 1 0.00000000 0.00000000 0.00000000 1 K K2 1 1.93913185 1.93913185 2.54929502 1 K K3 1 1.93913185 1.93913185 7.38719489 1 [/CIF]
BiHgK2
P4/mmm
123
tetragonal
4/mmm
5,419.432955
false
[CIF] data_BaScNb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08186704 _cell_length_b 5.08186704 _cell_length_c 5.08186704 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaScNb3 _chemical_formula_sum 'Ba1 Sc1 Nb3' _cell_volume 131.24110987 _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 0.00000000 1 Nb Nb1 1 2.54093352 0.00000000 2.54093352 1 Nb Nb2 1 2.54093352 2.54093352 0.00000000 1 Nb Nb3 1 0.00000000 2.54093352 2.54093352 1 Ba Ba4 1 2.54093352 2.54093352 2.54093352 1 [/CIF]
BaNb3Sc
Pm-3m
221
cubic
m-3m
5,832.866835
false
[CIF] data_ZrPdRu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74320426 _cell_length_b 4.74320426 _cell_length_c 4.74320426 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPdRu3 _chemical_formula_sum 'Zr1 Ru3 Pd1' _cell_volume 106.71254613 _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 2.37160213 0.00000000 1 Ru Ru1 1 0.00000000 0.00000000 2.37160213 1 Ru Ru2 1 2.37160213 0.00000000 0.00000000 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 Pd Pd4 1 2.37160213 2.37160213 2.37160213 1 [/CIF]
PdRu3Zr
Pm-3m
221
cubic
m-3m
7,793.719331
false
[CIF] data_Li2AsRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22411937 _cell_length_b 4.22411937 _cell_length_c 4.22411937 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2AsRh _chemical_formula_sum 'Li2 As1 Rh1' _cell_volume 53.29586916 _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 2.98690345 2.98690345 2.98690345 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 1.49345172 1.49345172 1.49345172 1 Rh Rh3 1 4.48035517 4.48035517 4.48035517 1 [/CIF]
AsLi2Rh
F-43m
216
cubic
-43m
5,973.079246
false
[CIF] data_CdAsPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79374855 _cell_length_b 4.79374855 _cell_length_c 3.01334523 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAsPt2 _chemical_formula_sum 'Cd1 As1 Pt2' _cell_volume 69.24674920 _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 Cd Cd1 1 2.39687428 2.39687428 0.00000000 1 Pt Pt2 1 2.39687428 0.00000000 1.50667262 1 Pt Pt3 1 0.00000000 2.39687428 1.50667262 1 [/CIF]
AsCdPt2
P4/mmm
123
tetragonal
4/mmm
13,848.48124
false
[CIF] data_Pr2Ga5Au3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39759000 _cell_length_b 4.39759000 _cell_length_c 10.81086500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2Ga5Au3 _chemical_formula_sum 'Pr2 Ga5 Au3' _cell_volume 209.06913237 _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 Pr Pr0 1 2.19879500 0.00000000 2.72540826 1 Pr Pr1 1 0.00000000 2.19879500 8.08545674 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Ga Ga3 1 2.19879500 2.19879500 0.00000000 1 Ga Ga4 1 2.19879500 0.00000000 6.87414256 1 Ga Ga5 1 0.00000000 2.19879500 3.93672244 1 Ga Ga6 1 2.19879500 2.19879500 5.40543250 1 Au Au7 1 2.19879500 0.00000000 9.39443628 1 Au Au8 1 0.00000000 2.19879500 1.41642872 1 Au Au9 1 0.00000000 0.00000000 5.40543250 1 [/CIF]
Au3Ga5Pr2
P-4m2
115
tetragonal
-42m
9,700.457293
false
[CIF] data_CaMgAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51415458 _cell_length_b 5.51415458 _cell_length_c 5.51415458 _cell_angle_alpha 134.47107427 _cell_angle_beta 134.47107427 _cell_angle_gamma 66.35315088 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgAu2 _chemical_formula_sum 'Ca1 Mg1 Au2' _cell_volume 84.04497016 _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 2.13366757 -0.00000000 2.30764090 1 Au Au1 1 0.00000000 -0.00000000 4.61528180 1 Ca Ca2 1 -0.00000000 2.13366757 2.30764090 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2CaMg
I-4m2
119
tetragonal
-42m
9,055.293262
false
[CIF] data_SrYBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14403782 _cell_length_b 5.14403782 _cell_length_c 6.70635296 _cell_angle_alpha 102.46058426 _cell_angle_beta 102.46058426 _cell_angle_gamma 43.41455111 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYBr2 _chemical_formula_sum 'Sr1 Y1 Br2' _cell_volume 118.62715041 _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 1.20079320 0.00000000 4.71920773 1 Br Br1 1 6.80024744 -0.00000000 1.80378858 1 Sr Sr2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 4.00052032 -0.00000000 3.26149816 1 [/CIF]
Br2SrY
C2/m
12
monoclinic
2/m
4,707.990501
false
[CIF] data_CaYB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18077140 _cell_length_b 6.87482042 _cell_length_c 6.87482042 _cell_angle_alpha 30.75218033 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYB2 _chemical_formula_sum 'Ca1 Y1 B2' _cell_volume 76.86929041 _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 10.16656878 1 B B1 1 1.59038570 0.00000000 9.71708836 1 Ca Ca2 1 0.00000000 0.00000000 1.56133252 1 Y Y3 1 1.59038570 0.00000000 4.92035271 1 [/CIF]
B2CaY
Amm2
38
orthorhombic
mm2
3,253.41615
false
[CIF] data_ZrScSiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55387474 _cell_length_b 4.55387474 _cell_length_c 4.55387474 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScSiNi _chemical_formula_sum 'Zr1 Sc1 Si1 Ni1' _cell_volume 66.77720612 _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 Si Si0 1 0.00000000 0.00000000 0.00000000 1 Sc Sc1 1 4.83011357 4.83011357 4.83011357 1 Zr Zr2 1 3.22007571 3.22007571 3.22007571 1 Ni Ni3 1 1.61003786 1.61003786 1.61003786 1 [/CIF]
NiScSiZr
F-43m
216
cubic
-43m
5,544.284331
false
[CIF] data_Ga2SnB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23575775 _cell_length_b 3.23575775 _cell_length_c 7.71626423 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.00967545 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2SnB _chemical_formula_sum 'Ga2 Sn1 B1' _cell_volume 73.80003937 _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 Ga Ga1 1 1.76209084 0.00000000 1.33488061 1 Ga Ga2 1 1.76209084 0.00000000 6.38138362 1 Sn Sn3 1 0.00000000 0.00000000 3.85813212 1 [/CIF]
BGa2Sn
Cmmm
65
orthorhombic
mmm
6,051.896651
false
[CIF] data_TaZn2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67423802 _cell_length_b 4.67423802 _cell_length_c 4.67423802 _cell_angle_alpha 129.06855257 _cell_angle_beta 129.06855257 _cell_angle_gamma 74.90029477 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZn2Ru _chemical_formula_sum 'Ta1 Zn2 Ru1' _cell_volume 59.95525686 _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 3.71079679 1 Ta Ta1 1 0.00000000 2.00978709 1.85539839 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 2.00978709 -0.00000000 1.85539840 1 [/CIF]
RuTaZn2
I-4m2
119
tetragonal
-42m
11,432.421967
false
[CIF] data_AlP2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49470541 _cell_length_b 4.49470541 _cell_length_c 3.96564734 _cell_angle_alpha 109.30125184 _cell_angle_beta 109.30125184 _cell_angle_gamma 110.05228740 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlP2Ir _chemical_formula_sum 'Al1 P2 Ir1' _cell_volume 61.48608307 _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 Ir Ir1 1 2.57637684 -0.00000000 0.00000000 1 P P2 1 0.14480099 -1.84151155 1.61995521 1 P P3 1 0.14480099 1.84151155 1.61995521 1 [/CIF]
AlIrP2
C2/m
12
monoclinic
2/m
7,592.840478
false
[CIF] data_Ge2SbP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69522763 _cell_length_b 5.69522763 _cell_length_c 2.98988222 _cell_angle_alpha 99.91608706 _cell_angle_beta 99.91608706 _cell_angle_gamma 117.57782420 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge2SbP _chemical_formula_sum 'Ge2 Sb1 P1' _cell_volume 81.07483302 _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 0.97881354 -2.43546157 1.40997872 1 Ge Ge1 1 0.97881354 2.43546157 1.40997872 1 P P2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 2.95122442 0.00000000 0.00000000 1 [/CIF]
Ge2PSb
C2/m
12
monoclinic
2/m
6,103.786783
false
[CIF] data_InAgTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22991584 _cell_length_b 7.22991584 _cell_length_c 7.22991584 _cell_angle_alpha 147.75951970 _cell_angle_beta 147.07370900 _cell_angle_gamma 46.74968437 _symmetry_Int_Tables_number 1 _chemical_formula_structural InAgTe2 _chemical_formula_sum 'In1 Ag1 Te2' _cell_volume 109.18685995 _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 0.00000000 6.51811339 1 In In1 1 2.00741533 -0.00000000 2.71451917 1 Te Te2 1 -0.00000000 0.00000000 0.23850004 1 Te Te3 1 -0.00000000 2.04894761 3.80196495 1 [/CIF]
AgInTe2
Imm2
44
orthorhombic
mm2
7,267.804064
false
[CIF] data_HfZrTlRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83536937 _cell_length_b 4.83536937 _cell_length_c 4.83536937 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrTlRh _chemical_formula_sum 'Hf1 Zr1 Tl1 Rh1' _cell_volume 79.94180815 _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 1.70956124 1.70956124 1.70956124 1 Rh Rh1 1 5.12868371 5.12868371 5.12868371 1 Tl Tl2 1 3.41912247 3.41912247 3.41912247 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfRhTlZr
F-43m
216
cubic
-43m
11,985.414305
false
[CIF] data_CoSiOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15696465 _cell_length_b 5.15696465 _cell_length_c 5.15696465 _cell_angle_alpha 148.27712849 _cell_angle_beta 131.20313424 _cell_angle_gamma 59.38066178 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSiOs2 _chemical_formula_sum 'Co1 Si1 Os2' _cell_volume 53.80367435 _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 4.47993314 1 Os Os1 1 1.40945947 -0.00000000 1.92378794 1 Os Os2 1 -0.00000000 2.13023649 2.55614520 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CoOs2Si
Immm
71
orthorhombic
mmm
14,427.762513
false
[CIF] data_CuSnRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36175243 _cell_length_b 4.36175243 _cell_length_c 3.15970608 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSnRu2 _chemical_formula_sum 'Cu1 Sn1 Ru2' _cell_volume 60.11304250 _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 0.00000000 2.18087622 1.57985304 1 Ru Ru2 1 2.18087622 0.00000000 1.57985304 1 Sn Sn3 1 2.18087622 2.18087622 0.00000000 1 [/CIF]
CuRu2Sn
P4/mmm
123
tetragonal
4/mmm
10,618.427023
false
[CIF] data_Ga2HgGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99452412 _cell_length_b 4.95325852 _cell_length_c 5.74185154 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.83448955 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga2HgGe _chemical_formula_sum 'Ga2 Hg1 Ge1' _cell_volume 83.91538123 _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 0.00085685 0.00000000 0.05064007 1 Ga Ga1 1 1.96932124 2.47662926 1.44936509 1 Ge Ge2 1 1.00752621 0.00000000 2.72276202 1 Hg Hg3 1 0.04299679 2.47662926 4.26344755 1 [/CIF]
Ga2GeHg
Pm
6
monoclinic
m
8,166.138433
false
[CIF] data_ReBPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06279958 _cell_length_b 4.10962064 _cell_length_c 4.37859330 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReBPt2 _chemical_formula_sum 'Re1 B1 Pt2' _cell_volume 55.11311029 _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 Pt Pt1 1 0.00000000 2.05481032 2.18929665 1 Pt Pt2 1 1.53139979 0.00000000 2.18929665 1 Re Re3 1 1.53139979 2.05481032 0.00000000 1 [/CIF]
BPt2Re
Pmmm
47
orthorhombic
mmm
17,691.712322
false
[CIF] data_BaTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91200088 _cell_length_b 4.91200088 _cell_length_c 4.91200088 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTc _chemical_formula_sum 'Ba1 Tc1' _cell_volume 83.80314348 _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 1.73665457 1.73665457 1.73665457 1 Tc Tc1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaTc
F-43m
216
cubic
-43m
4,680.903856
false
[CIF] data_HoNb2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79648773 _cell_length_b 4.79648773 _cell_length_c 4.79648773 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoNb2Ag _chemical_formula_sum 'Ho1 Nb2 Ag1' _cell_volume 78.02881577 _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 0.00000000 0.00000000 1 Ho Ho1 1 3.39162900 3.39162900 3.39162900 1 Nb Nb2 1 5.08744350 5.08744350 5.08744350 1 Nb Nb3 1 1.69581450 1.69581450 1.69581450 1 [/CIF]
AgHoNb2
Fm-3m
225
cubic
m-3m
9,759.752718
false
[CIF] data_K2DyMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22378135 _cell_length_b 6.22378135 _cell_length_c 6.22378135 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2DyMg _chemical_formula_sum 'K2 Dy1 Mg1' _cell_volume 170.47000883 _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 Dy Dy0 1 4.40087800 4.40087800 4.40087800 1 K K1 1 2.20043900 2.20043900 2.20043900 1 K K2 1 6.60131700 6.60131700 6.60131700 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
DyK2Mg
Fm-3m
225
cubic
m-3m
2,581.366145
false
[CIF] data_NbVFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17311795 _cell_length_b 4.17311795 _cell_length_c 4.17311795 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbVFe2 _chemical_formula_sum 'Nb1 V1 Fe2' _cell_volume 51.38862309 _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 1.47542000 1.47542000 1.47542000 1 Fe Fe1 1 4.42626000 4.42626000 4.42626000 1 Nb Nb2 1 2.95084000 2.95084000 2.95084000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2NbV
Fm-3m
225
cubic
m-3m
8,257.287454
false
[CIF] data_BeNiPb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99802749 _cell_length_b 5.99802749 _cell_length_c 5.99802749 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNiPb4 _chemical_formula_sum 'Be1 Ni1 Pb4' _cell_volume 152.58447832 _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 Ni Ni1 1 2.12062295 2.12062295 2.12062295 1 Pb Pb2 1 3.18090432 3.18090432 5.30158750 1 Pb Pb3 1 3.18090432 5.30158750 3.18090432 1 Pb Pb4 1 5.30158750 3.18090432 3.18090432 1 Pb Pb5 1 5.30158750 5.30158750 5.30158750 1 [/CIF]
BeNiPb4
F-43m
216
cubic
-43m
9,756.448092
false
[CIF] data_ZrHgBiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93232675 _cell_length_b 4.93232675 _cell_length_c 4.93232675 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrHgBiOs _chemical_formula_sum 'Zr1 Hg1 Bi1 Os1' _cell_volume 84.84778703 _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 5.23152253 5.23152254 5.23152254 1 Hg Hg1 1 3.48768169 3.48768169 3.48768169 1 Os Os2 1 1.74384085 1.74384085 1.74384085 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiHgOsZr
F-43m
216
cubic
-43m
13,523.900296
false