Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files 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_AsIr3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69360914 _cell_length_b 4.69360914 _cell_length_c 4.69360914 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsIr3Ru _chemical_formula_sum 'As1 Ru1 Ir3' _cell_volume 103.40005333 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.34680457 2.34680457 2.34680457 1 As As1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 2.34680457 0.00000000 2.34680457 1 Ir Ir3 1 2.34680457 2.34680457 0.00000000 1 Ir Ir4 1 0.00000000 2.34680457 2.34680457 1 [/CIF]
AsIr3Ru
Pm-3m
221
cubic
m-3m
12,086.961275
false
[CIF] data_InCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12437873 _cell_length_b 4.66820103 _cell_length_c 6.53519816 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.62319652 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InCl _chemical_formula_sum 'In2 Cl2' _cell_volume 119.91977813 _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 Cl Cl0 1 2.07346549 3.50115077 4.26299152 1 Cl Cl1 1 0.07234429 1.16705026 1.96549786 1 In In2 1 2.27803170 3.50115077 1.39543581 1 In In3 1 -0.13222193 1.16705026 4.83305357 1 [/CIF]
Cl2In2
P2_1/m
11
monoclinic
2/m
4,161.629882
false
[CIF] data_Mg5Rh4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25295977 _cell_length_b 6.25295977 _cell_length_c 6.25295977 _cell_angle_alpha 96.44045331 _cell_angle_beta 96.44045331 _cell_angle_gamma 140.86480938 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Rh4 _chemical_formula_sum 'Mg5 Rh4' _cell_volume 145.39714113 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 2.70190167 2.70190167 0.00000000 1 Mg Mg2 1 -1.46425321 1.46425321 2.09423327 1 Mg Mg3 1 1.46425321 -1.46425321 2.09423327 1 Mg Mg4 1 1.46425321 1.46425321 2.09423327 1 Rh Rh5 1 0.00000000 2.81091061 0.00000000 1 Rh Rh6 1 0.00000000 5.52139914 -0.00000000 1 Rh Rh7 1 2.81091061 -0.00000000 0.00000000 1 Rh Rh8 1 5.52139914 -0.00000000 0.00000000 1 [/CIF]
Mg5Rh4
I4/mmm
139
tetragonal
4/mmm
6,088.919045
false
[CIF] data_ScReHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52818059 _cell_length_b 4.52818059 _cell_length_c 4.52818059 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScReHg _chemical_formula_sum 'Sc1 Re1 Hg1' _cell_volume 65.65324822 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 4.80286080 4.80286080 4.80286080 1 Re Re1 1 3.20190720 3.20190720 3.20190720 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgReSc
F-43m
216
cubic
-43m
10,920.138713
false
[CIF] data_BaLaZnCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45357314 _cell_length_b 5.45357314 _cell_length_c 5.45357314 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaZnCu _chemical_formula_sum 'Ba1 La1 Zn1 Cu1' _cell_volume 114.69075945 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.92812928 1.92812928 1.92812927 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 5.78438783 5.78438783 5.78438783 1 Zn Zn3 1 3.85625855 3.85625855 3.85625855 1 [/CIF]
BaCuLaZn
F-43m
216
cubic
-43m
5,866.047717
false
[CIF] data_LaYReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87886595 _cell_length_b 4.87886595 _cell_length_c 4.87886595 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaYReTc _chemical_formula_sum 'La1 Y1 Re1 Tc1' _cell_volume 82.11862337 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 1.72493960 1.72493960 1.72493960 1 Re Re1 1 5.17481880 5.17481880 5.17481880 1 Tc Tc2 1 3.44987920 3.44987920 3.44987920 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaReTcY
F-43m
216
cubic
-43m
10,371.961544
false
[CIF] data_CdSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00879574 _cell_length_b 5.00879574 _cell_length_c 6.01447024 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSn _chemical_formula_sum 'Cd2 Sn2' _cell_volume 130.67564565 _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 Cd Cd0 1 2.50439787 1.44591478 4.51085268 1 Cd Cd1 1 0.00000000 2.89182957 1.50361756 1 Sn Sn2 1 2.50439787 1.44591478 1.50361756 1 Sn Sn3 1 0.00000000 2.89182957 4.51085268 1 [/CIF]
Cd2Sn2
P6_3/mmc
194
hexagonal
6/mmm
5,873.863454
false
[CIF] data_LiScPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79762595 _cell_length_b 4.79762595 _cell_length_c 4.79762595 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiScPb _chemical_formula_sum 'Li1 Sc1 Pb1' _cell_volume 78.08437811 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 5.08865076 5.08865076 5.08865076 1 Sc Sc2 1 3.39243384 3.39243384 3.39243384 1 [/CIF]
LiPbSc
F-43m
216
cubic
-43m
5,509.94392
false
[CIF] data_TcSnRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94435254 _cell_length_b 4.94435254 _cell_length_c 4.94435254 _cell_angle_alpha 133.68060921 _cell_angle_beta 133.68060921 _cell_angle_gamma 67.58729430 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcSnRu2 _chemical_formula_sum 'Tc1 Sn1 Ru2' _cell_volume 62.15138583 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.94459036 -0.00000000 2.05449256 1 Ru Ru1 1 0.00000000 -0.00000000 4.10898512 1 Sn Sn2 1 0.00000000 1.94459036 2.05449256 1 Tc Tc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ru2SnTc
I-4m2
119
tetragonal
-42m
11,214.899865
false
[CIF] data_Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67540618 _cell_length_b 3.67540618 _cell_length_c 3.82550506 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Se _chemical_formula_sum Se2 _cell_volume 44.75381846 _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 Se Se0 1 -0.00000000 2.12199675 0.95637627 1 Se Se1 1 1.83770309 1.06099837 2.86912880 1 [/CIF]
Se2
P6_3/mmc
194
hexagonal
6/mmm
5,859.44034
false
[CIF] data_PrMgPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37493619 _cell_length_b 5.37493619 _cell_length_c 5.37493619 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrMgPb2 _chemical_formula_sum 'Pr1 Mg1 Pb2' _cell_volume 109.80065723 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 -0.00000000 0.00000000 0.00000000 1 Pb Pb1 1 5.70098074 5.70098074 5.70098074 1 Pb Pb2 1 1.90032691 1.90032691 1.90032691 1 Pr Pr3 1 3.80065383 3.80065383 3.80065383 1 [/CIF]
MgPb2Pr
Fm-3m
225
cubic
m-3m
8,765.607357
false
[CIF] data_HfSiPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21640705 _cell_length_b 5.21640705 _cell_length_c 5.21640705 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSiPd4 _chemical_formula_sum 'Hf1 Si1 Pd4' _cell_volume 100.36895957 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84427840 1.84427840 1.84427840 1 Pd Pd1 1 2.76773090 2.76773090 4.60938270 1 Pd Pd2 1 2.76773090 4.60938270 2.76773090 1 Pd Pd3 1 4.60938270 2.76773090 2.76773090 1 Pd Pd4 1 4.60938270 4.60938270 4.60938270 1 Si Si5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfPd4Si
F-43m
216
cubic
-43m
10,460.255464
false
[CIF] data_ScP2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12173042 _cell_length_b 5.12173042 _cell_length_c 5.12173042 _cell_angle_alpha 133.79271117 _cell_angle_beta 133.79271117 _cell_angle_gamma 67.41195389 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScP2Au _chemical_formula_sum 'Sc1 P2 Au1' _cell_volume 68.83789928 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.26074827 1 P P1 1 -0.00000000 2.00974460 2.13037414 1 P P2 1 2.00974460 -0.00000000 2.13037413 1 Sc Sc3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuP2Sc
I4/mmm
139
tetragonal
4/mmm
7,330.090252
false
[CIF] data_Ga3Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38989054 _cell_length_b 4.38989054 _cell_length_c 2.99066056 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ga3Fe _chemical_formula_sum 'Ga3 Fe1' _cell_volume 57.63343521 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 2.19494527 0.00000000 1.49533028 1 Ga Ga2 1 2.19494527 2.19494527 0.00000000 1 Ga Ga3 1 0.00000000 2.19494527 1.49533028 1 [/CIF]
FeGa3
P4/mmm
123
tetragonal
4/mmm
7,635.604204
false
[CIF] data_Ba3NaCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54454422 _cell_length_b 6.54454422 _cell_length_c 6.54454422 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3NaCo _chemical_formula_sum 'Ba3 Na1 Co1' _cell_volume 280.30975993 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 3.27227211 3.27227211 3.27227211 1 Ba Ba2 1 0.00000000 3.27227211 0.00000000 1 Ba Ba3 1 0.00000000 0.00000000 3.27227211 1 Ba Ba4 1 3.27227211 0.00000000 0.00000000 1 [/CIF]
Ba3CoNa
Pm-3m
221
cubic
m-3m
2,925.858978
false
[CIF] data_SmPdO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00479000 _cell_length_b 4.00479000 _cell_length_c 4.00479000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmPdO3 _chemical_formula_sum 'Sm1 Pd1 O3' _cell_volume 64.23019544 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O O0 1 0.00000000 0.00000000 2.00239500 1 O O1 1 0.00000000 2.00239500 0.00000000 1 O O2 1 2.00239500 0.00000000 0.00000000 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 Sm Sm4 1 2.00239500 2.00239500 2.00239500 1 [/CIF]
O3PdSm
Pm-3m
221
cubic
m-3m
7,879.410989
false
[CIF] data_Sr2CrCuSO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94474700 _cell_length_b 3.94474700 _cell_length_c 15.62161900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2CrCuSO3 _chemical_formula_sum 'Sr4 Cr2 Cu2 S2 O6' _cell_volume 243.08846463 _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 Sr Sr0 1 0.00000000 1.97237350 2.90519935 1 Sr Sr1 1 1.97237350 0.00000000 12.71641965 1 Sr Sr2 1 0.00000000 1.97237350 6.45557157 1 Sr Sr3 1 1.97237350 0.00000000 9.16604743 1 Cr Cr4 1 1.97237350 0.00000000 4.81767606 1 Cr Cr5 1 0.00000000 1.97237350 10.80394294 1 Cu Cu6 1 0.00000000 0.00000000 0.00000000 1 Cu Cu7 1 1.97237350 1.97237350 0.00000000 1 S S8 1 1.97237350 0.00000000 1.41436576 1 S S9 1 0.00000000 1.97237350 14.20725324 1 O O10 1 0.00000000 0.00000000 4.53031637 1 O O11 1 1.97237350 1.97237350 4.53031637 1 O O12 1 1.97237350 1.97237350 11.09130263 1 O O13 1 0.00000000 0.00000000 11.09130263 1 O O14 1 1.97237350 0.00000000 6.73790109 1 O O15 1 0.00000000 1.97237350 8.88371791 1 [/CIF]
Cr2Cu2O6S2Sr4
P4/nmm
129
tetragonal
4/mmm
5,066.493873
false
[CIF] data_IrPdWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49346964 _cell_length_b 4.49346964 _cell_length_c 4.49346964 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural IrPdWAu _chemical_formula_sum 'Ir1 Pd1 W1 Au1' _cell_volume 64.15498916 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.76604428 4.76604428 4.76604428 1 Ir Ir1 1 1.58868143 1.58868143 1.58868143 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.17736285 3.17736285 3.17736285 1 [/CIF]
AuIrPdW
F-43m
216
cubic
-43m
17,586.201862
false
[CIF] data_Sc2BiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89571396 _cell_length_b 4.89571396 _cell_length_c 4.89571396 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2BiIr _chemical_formula_sum 'Sc2 Bi1 Ir1' _cell_volume 82.97229615 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.46179254 3.46179254 3.46179254 1 Ir Ir1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 5.19268881 5.19268881 5.19268881 1 Sc Sc3 1 1.73089627 1.73089627 1.73089627 1 [/CIF]
BiIrSc2
Fm-3m
225
cubic
m-3m
9,828.654747
false
[CIF] data_NiGe3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52610862 _cell_length_b 4.52610862 _cell_length_c 4.52610862 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiGe3W _chemical_formula_sum 'Ni1 Ge3 W1' _cell_volume 92.72031887 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 0.00000000 2.26305431 0.00000000 1 Ge Ge2 1 0.00000000 0.00000000 2.26305431 1 Ge Ge3 1 2.26305431 0.00000000 0.00000000 1 W W4 1 2.26305431 2.26305431 2.26305431 1 [/CIF]
Ge3NiW
Pm-3m
221
cubic
m-3m
8,246.313951
false
[CIF] data_Bi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.98330692 _cell_length_b 6.98330692 _cell_length_c 6.98330692 _cell_angle_alpha 151.94599449 _cell_angle_beta 151.94599449 _cell_angle_gamma 40.09217367 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2Ir _chemical_formula_sum 'Bi2 Ir1' _cell_volume 75.17828788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.26735803 1 Bi Bi1 1 -0.00000000 0.00000000 4.85311933 1 Ir Ir2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2Ir
I4/mmm
139
tetragonal
4/mmm
13,477.61572
false
[CIF] data_GdTlS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86909700 _cell_length_b 7.86909700 _cell_length_c 7.86909700 _cell_angle_alpha 29.90982899 _cell_angle_beta 29.90982899 _cell_angle_gamma 29.90982899 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdTlS2 _chemical_formula_sum 'Gd1 Tl1 S2' _cell_volume 107.30293440 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 S S1 1 0.00000000 -0.00000000 16.53058637 1 S S2 1 0.00000000 0.00000000 6.00426988 1 Tl Tl3 1 0.00000000 -0.00000000 11.26742813 1 [/CIF]
GdS2Tl
R-3m
166
trigonal
-3m
6,588.790776
false
[CIF] data_AlZnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43370217 _cell_length_b 4.43370217 _cell_length_c 4.43370217 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlZnP2 _chemical_formula_sum 'Al1 Zn1 P2' _cell_volume 61.62891918 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 P P1 1 1.56755044 1.56755044 1.56755044 1 P P2 1 4.70265130 4.70265130 4.70265130 1 Zn Zn3 1 3.13510087 3.13510087 3.13510087 1 [/CIF]
AlP2Zn
Fm-3m
225
cubic
m-3m
4,157.72709
false
[CIF] data_V3Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70560242 _cell_length_b 4.70560242 _cell_length_c 4.70560242 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V3Si _chemical_formula_sum 'V6 Si2' _cell_volume 104.19471511 _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 Si Si0 1 0.00000000 0.00000000 0.00000000 1 Si Si1 1 2.35280121 2.35280121 2.35280121 1 V V2 1 1.17640060 0.00000000 2.35280121 1 V V3 1 3.52920181 0.00000000 2.35280121 1 V V4 1 0.00000000 2.35280121 1.17640060 1 V V5 1 0.00000000 2.35280121 3.52920181 1 V V6 1 2.35280121 3.52920181 0.00000000 1 V V7 1 2.35280121 1.17640060 0.00000000 1 [/CIF]
Si2V6
Pm-3n
223
cubic
m-3m
5,766.283294
false
[CIF] data_GaNiSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46570620 _cell_length_b 4.46570620 _cell_length_c 4.46570620 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaNiSnPd _chemical_formula_sum 'Ga1 Ni1 Sn1 Pd1' _cell_volume 62.97315401 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57886557 1.57886557 1.57886557 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Pd Pd2 1 3.15773114 3.15773114 3.15773114 1 Sn Sn3 1 4.73659671 4.73659671 4.73659671 1 [/CIF]
GaNiPdSn
F-43m
216
cubic
-43m
9,322.664845
false
[CIF] data_ScZnAgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54188634 _cell_length_b 4.54188634 _cell_length_c 4.54188634 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScZnAgRh _chemical_formula_sum 'Sc1 Zn1 Ag1 Rh1' _cell_volume 66.25120589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.81739795 4.81739795 4.81739795 1 Rh Rh1 1 1.60579932 1.60579932 1.60579931 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 3.21159863 3.21159863 3.21159863 1 [/CIF]
AgRhScZn
F-43m
216
cubic
-43m
8,048.38264
false
[CIF] data_Y _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94889543 _cell_length_b 4.94889543 _cell_length_c 4.94889543 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y _chemical_formula_sum Y2 _cell_volume 85.70572534 _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 Y Y0 1 1.74969876 1.74969876 1.74969876 1 Y Y1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Y2
Fd-3m
227
cubic
m-3m
3,445.082265
false
[CIF] data_TiAlSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96033250 _cell_length_b 6.96033250 _cell_length_c 6.96033250 _cell_angle_alpha 147.34227609 _cell_angle_beta 147.34227609 _cell_angle_gamma 46.85725254 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlSi _chemical_formula_sum 'Ti2 Al2 Si2' _cell_volume 97.82711551 _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 Al Al0 1 0.00000000 -0.00000000 11.53290567 1 Al Al1 1 0.00000000 -0.00000000 1.24008524 1 Si Si2 1 0.00000000 0.00000000 7.66885648 1 Si Si3 1 0.00000000 0.00000000 5.10413443 1 Ti Ti4 1 0.00000000 1.95689861 3.19324773 1 Ti Ti5 1 1.95689861 0.00000000 3.19324773 1 [/CIF]
Al4Si4Ti4
I4/mmm
139
tetragonal
4/mmm
3,494.535325
false
[CIF] data_CdRu2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96336604 _cell_length_b 4.96336604 _cell_length_c 2.74255265 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.65773329 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdRu2Rh _chemical_formula_sum 'Cd1 Ru2 Rh1' _cell_volume 61.40215839 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.67930581 0.00000000 0.00000000 1 Rh Rh1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.33965290 2.08903823 1.37127632 1 Ru Ru3 1 1.33965290 -2.08903822 1.37127632 1 [/CIF]
CdRhRu2
Cmmm
65
orthorhombic
mmm
11,289.55146
false
[CIF] data_Ca2PtCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19305607 _cell_length_b 4.19305607 _cell_length_c 5.76306858 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2PtCl _chemical_formula_sum 'Ca2 Pt1 Cl1' _cell_volume 101.32465354 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.88153429 1 Ca Ca1 1 2.09652803 2.09652803 0.00000000 1 Cl Cl2 1 0.00000000 0.00000000 0.00000000 1 Pt Pt3 1 2.09652803 2.09652803 2.88153429 1 [/CIF]
Ca2ClPt
P4/mmm
123
tetragonal
4/mmm
5,092.443026
false
[CIF] data_TiBi2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52857140 _cell_length_b 5.52857140 _cell_length_c 3.24213466 _cell_angle_alpha 101.55672726 _cell_angle_beta 101.55672726 _cell_angle_gamma 109.11087325 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBi2W _chemical_formula_sum 'Ti1 Bi2 W1' _cell_volume 87.86987091 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.04303508 -2.25199997 1.52126323 1 Bi Bi1 1 1.04303508 2.25199997 1.52126323 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.20610140 0.00000000 0.00000000 1 [/CIF]
Bi2TiW
C2/m
12
monoclinic
2/m
12,277.231673
false
[CIF] data_CrNiPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10431134 _cell_length_b 5.10431134 _cell_length_c 5.10431134 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrNiPd4 _chemical_formula_sum 'Cr1 Ni1 Pd4' _cell_volume 94.03650316 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.80464658 1.80464658 1.80464658 1 Pd Pd2 1 2.70639469 2.70639469 4.51219163 1 Pd Pd3 1 2.70639469 4.51219163 2.70639469 1 Pd Pd4 1 4.51219163 2.70639469 2.70639469 1 Pd Pd5 1 4.51219163 4.51219163 4.51219163 1 [/CIF]
CrNiPd4
F-43m
216
cubic
-43m
9,471.455009
false
[CIF] data_La2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20768649 _cell_length_b 6.20768649 _cell_length_c 6.20768649 _cell_angle_alpha 145.23131710 _cell_angle_beta 145.23131710 _cell_angle_gamma 49.98994302 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2Rh _chemical_formula_sum 'La2 Rh1' _cell_volume 77.41869168 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 -0.00000000 3.96925172 1 La La1 1 -0.00000000 -0.00000000 7.28335794 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2Rh
I4/mmm
139
tetragonal
4/mmm
8,165.915855
false
[CIF] data_Cr2ReBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11250524 _cell_length_b 3.11250524 _cell_length_c 6.98141128 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2ReBi _chemical_formula_sum 'Cr2 Re1 Bi1' _cell_volume 67.63374035 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.55625262 1.55625262 5.32668088 1 Cr Cr1 1 0.00000000 0.00000000 0.51433698 1 Cr Cr2 1 1.55625262 1.55625262 1.66599407 1 Re Re3 1 0.00000000 0.00000000 2.96510493 1 [/CIF]
BiCr2Re
P4mm
99
tetragonal
4mm
12,255.824131
false
[CIF] data_CoAsCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42130832 _cell_length_b 3.42130832 _cell_length_c 7.79028421 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoAsCl2 _chemical_formula_sum 'Co1 As1 Cl2' _cell_volume 91.18800811 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.71065416 1.71065416 4.74305806 1 Cl Cl1 1 0.00000000 0.00000000 7.15493083 1 Cl Cl2 1 1.71065416 1.71065416 2.52905407 1 Co Co3 1 0.00000000 0.00000000 5.04866756 1 [/CIF]
AsCl2Co
P4mm
99
tetragonal
4mm
3,728.70629
false
[CIF] data_ZrAg2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02895889 _cell_length_b 3.90178460 _cell_length_c 6.43520869 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrAg2Au _chemical_formula_sum 'Zr1 Ag2 Au1' _cell_volume 76.05351742 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.51447945 1.95089230 0.09444692 1 Ag Ag1 1 0.00000000 0.00000000 1.58459884 1 Au Au2 1 1.51447945 1.95089230 3.20460960 1 Zr Zr3 1 0.00000000 0.00000000 4.76915761 1 [/CIF]
Ag2AuZr
Pmm2
25
orthorhombic
mm2
11,002.652437
false
[CIF] data_CaScPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57391631 _cell_length_b 5.61629015 _cell_length_c 5.57337739 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.58702026 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaScPb2 _chemical_formula_sum 'Ca1 Sc1 Pb2' _cell_volume 111.86380111 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.29633085 0.00000000 0.78773989 1 Pb Pb1 1 0.46357790 2.80814508 0.60212311 1 Pb Pb2 1 0.43963566 0.00000000 3.55911484 1 Sc Sc3 1 2.07567900 2.80814508 3.41064948 1 [/CIF]
CaPb2Sc
Pm
6
monoclinic
m
7,413.743444
false
[CIF] data_NbSiRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38241764 _cell_length_b 4.38241764 _cell_length_c 4.38241764 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSiRh2 _chemical_formula_sum 'Nb1 Si1 Rh2' _cell_volume 59.51497983 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 3.09883723 3.09883723 3.09883723 1 Rh Rh1 1 1.54941862 1.54941862 1.54941861 1 Rh Rh2 1 4.64825584 4.64825585 4.64825585 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbRh2Si
Fm-3m
225
cubic
m-3m
9,118.190931
false
[CIF] data_Cr2RhPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92857651 _cell_length_b 2.92857651 _cell_length_c 7.28759659 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr2RhPb _chemical_formula_sum 'Cr2 Rh1 Pb1' _cell_volume 62.50251214 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46428826 1.46428826 1.59858911 1 Cr Cr1 1 1.46428826 1.46428826 5.68900748 1 Pb Pb2 1 0.00000000 0.00000000 3.64379829 1 Rh Rh3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2PbRh
P4/mmm
123
tetragonal
4/mmm
11,001.564332
false
[CIF] data_Co17As12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93859147 _cell_length_b 7.93859147 _cell_length_c 7.93859147 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co17As12 _chemical_formula_sum 'Co17 As12' _cell_volume 385.13099188 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.63512432 -1.62055334 3.63512432 1 As As1 1 0.94822360 2.96279458 0.94822360 1 As As2 1 -0.94822360 6.20390126 0.94822360 1 As As3 1 0.94822360 6.20390126 -0.94822360 1 As As4 1 -0.94822360 0.94822360 6.20390126 1 As As5 1 0.94822360 -0.94822360 6.20390126 1 As As6 1 0.94822360 0.94822360 2.96279458 1 As As7 1 3.63512432 3.63512432 -1.62055334 1 As As8 1 6.20390126 0.94822360 -0.94822360 1 As As9 1 6.20390126 -0.94822360 0.94822360 1 As As10 1 -1.62055334 3.63512432 3.63512432 1 As As11 1 2.96279458 0.94822360 0.94822360 1 Co Co12 1 1.28008081 5.22938231 1.28008081 1 Co Co13 1 3.30326711 0.64603439 3.30326711 1 Co Co14 1 1.28008081 3.93731353 -1.28008081 1 Co Co15 1 -1.28008081 3.93731353 1.28008081 1 Co Co16 1 1.28008081 -1.28008081 3.93731353 1 Co Co17 1 -1.28008081 1.28008081 3.93731353 1 Co Co18 1 3.30326711 3.30326711 0.64603439 1 Co Co19 1 1.28008081 1.28008081 5.22938231 1 Co Co20 1 3.93731353 -1.28008081 1.28008081 1 Co Co21 1 3.93731353 1.28008081 -1.28008081 1 Co Co22 1 5.22938231 1.28008081 1.28008081 1 Co Co23 1 0.64603439 3.30326711 3.30326711 1 Co Co24 1 1.30086191 -1.30086191 1.30086191 1 Co Co25 1 3.28248601 3.28248601 3.28248601 1 Co Co26 1 1.30086191 1.30086191 -1.30086191 1 Co Co27 1 -1.30086191 1.30086191 1.30086191 1 Co Co28 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As12Co17
I-43m
217
cubic
-43m
8,196.062705
false
[CIF] data_Mg2CoAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21557196 _cell_length_b 3.21557196 _cell_length_c 6.38096787 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2CoAs _chemical_formula_sum 'Mg2 Co1 As1' _cell_volume 65.97858901 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.19048394 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 1.60778598 1.60778598 1.40313923 1 Mg Mg3 1 1.60778598 1.60778598 4.97782864 1 [/CIF]
AsCoMg2
P4/mmm
123
tetragonal
4/mmm
4,592.246135
false
[CIF] data_SrCrCl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21913762 _cell_length_b 5.21913762 _cell_length_c 5.21913762 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCrCl2 _chemical_formula_sum 'Sr1 Cr1 Cl2' _cell_volume 100.52665875 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.53573140 5.53573140 5.53573140 1 Cl Cl1 1 1.84524380 1.84524380 1.84524380 1 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1 Sr Sr3 1 3.69048760 3.69048760 3.69048760 1 [/CIF]
Cl2CrSr
Fm-3m
225
cubic
m-3m
3,477.574042
false
[CIF] data_ReNiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99277892 _cell_length_b 4.99277892 _cell_length_c 4.99277892 _cell_angle_alpha 141.91976343 _cell_angle_beta 141.91976343 _cell_angle_gamma 54.94968055 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReNiSb _chemical_formula_sum 'Re1 Ni1 Sb1' _cell_volume 47.00707894 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01217173 1 Re Re1 1 -0.00000000 0.00000000 2.99740031 1 Sb Sb2 1 -0.00000000 0.00000000 5.84974978 1 [/CIF]
NiReSb
I4mm
107
tetragonal
4mm
12,952.387855
false
[CIF] data_AlSiF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31825370 _cell_length_b 4.31825370 _cell_length_c 4.31825370 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSiF3 _chemical_formula_sum 'Al1 Si1 F3' _cell_volume 80.52383707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 F F1 1 0.00000000 2.15912685 2.15912685 1 F F2 1 2.15912685 0.00000000 2.15912685 1 F F3 1 2.15912685 2.15912685 0.00000000 1 Si Si4 1 2.15912685 2.15912685 2.15912685 1 [/CIF]
AlF3Si
Pm-3m
221
cubic
m-3m
2,310.914976
false
[CIF] data_HfCrSn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00397751 _cell_length_b 6.00397751 _cell_length_c 6.00397751 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrSn4 _chemical_formula_sum 'Hf1 Cr1 Sn4' _cell_volume 153.03901861 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 2.12272660 2.12272660 2.12272660 1 Sn Sn2 1 3.18390282 3.18390282 5.30700360 1 Sn Sn3 1 3.18390282 5.30700360 3.18390282 1 Sn Sn4 1 5.30700360 3.18390282 3.18390282 1 Sn Sn5 1 5.30700360 5.30700360 5.30700360 1 [/CIF]
CrHfSn4
F-43m
216
cubic
-43m
7,653.091051
false
[CIF] data_Nb2CrAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89472905 _cell_length_b 2.89472905 _cell_length_c 8.16101938 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.48357546 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2CrAs _chemical_formula_sum 'Nb2 Cr1 As1' _cell_volume 64.46899002 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67101776 0.00000000 3.94305005 1 Cr Cr1 1 0.00000000 0.00000000 2.14421326 1 Nb Nb2 1 1.67101776 0.00000000 0.15419814 1 Nb Nb3 1 0.00000000 0.00000000 6.00006763 1 [/CIF]
AsCrNb2
Cmm2
35
orthorhombic
mm2
8,055.053228
false
[CIF] data_ZrTc2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.74970007 _cell_length_b 9.74970007 _cell_length_c 9.74970007 _cell_angle_alpha 16.44223692 _cell_angle_beta 16.44223692 _cell_angle_gamma 16.44223692 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTc2Ir _chemical_formula_sum 'Zr1 Tc2 Ir1' _cell_volume 64.74350161 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 14.42381835 1 Tc Tc1 1 0.00000000 0.00000000 21.84141291 1 Tc Tc2 1 0.00000000 -0.00000000 7.00622379 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
IrTc2Zr
R-3m
166
trigonal
-3m
12,343.170388
false
[CIF] data_HfMgReSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73504738 _cell_length_b 4.73504738 _cell_length_c 4.73504738 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgReSn _chemical_formula_sum 'Hf1 Mg1 Re1 Sn1' _cell_volume 75.06854331 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.34818411 3.34818411 3.34818411 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.67409205 1.67409205 1.67409206 1 Sn Sn3 1 5.02227617 5.02227617 5.02227617 1 [/CIF]
HfMgReSn
F-43m
216
cubic
-43m
11,230.744242
false
[CIF] data_SrCoHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06841712 _cell_length_b 6.06841712 _cell_length_c 6.06841712 _cell_angle_alpha 145.47119505 _cell_angle_beta 145.47119505 _cell_angle_gamma 49.63288882 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCoHg _chemical_formula_sum 'Sr1 Co1 Hg1' _cell_volume 71.46313822 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 10.64574663 1 Hg Hg1 1 0.00000000 -0.00000000 4.11452603 1 Sr Sr2 1 0.00000000 0.00000000 7.27189378 1 [/CIF]
CoHgSr
I4mm
107
tetragonal
4mm
8,066.416065
false
[CIF] data_V2SiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49279132 _cell_length_b 4.49279132 _cell_length_c 3.28082332 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2SiBi _chemical_formula_sum 'V2 Si1 Bi1' _cell_volume 66.22398907 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.24639566 2.24639566 0.00000000 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.00000000 2.24639566 1.64041166 1 V V3 1 2.24639566 0.00000000 1.64041166 1 [/CIF]
BiSiV2
P4/mmm
123
tetragonal
4/mmm
8,499.003125
false
[CIF] data_NbAl2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78250869 _cell_length_b 2.78250869 _cell_length_c 8.48515114 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAl2Zn _chemical_formula_sum 'Nb1 Al2 Zn1' _cell_volume 65.69504904 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.39125434 1.39125434 8.44573116 1 Al Al1 1 0.00000000 0.00000000 2.14397716 1 Nb Nb2 1 1.39125434 1.39125434 4.23620797 1 Zn Zn3 1 0.00000000 0.00000000 6.38696163 1 [/CIF]
Al2NbZn
P4mm
99
tetragonal
4mm
5,364.917458
false
[CIF] data_ZrCdInSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17022093 _cell_length_b 5.17022093 _cell_length_c 5.17022093 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCdInSn _chemical_formula_sum 'Zr1 Cd1 In1 Sn1' _cell_volume 97.72649132 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.82794914 1.82794914 1.82794914 1 In In1 1 5.48384742 5.48384742 5.48384742 1 Sn Sn2 1 3.65589828 3.65589828 3.65589828 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdInSnZr
F-43m
216
cubic
-43m
7,428.14185
false
[CIF] data_CuRuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87901323 _cell_length_b 5.87901323 _cell_length_c 5.87901323 _cell_angle_alpha 153.32450824 _cell_angle_beta 153.32450824 _cell_angle_gamma 38.08216958 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuRuRh _chemical_formula_sum 'Cu1 Ru1 Rh1' _cell_volume 40.88806832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00816118 1 Rh Rh1 1 -0.00000000 0.00000000 3.66812135 1 Ru Ru2 1 0.00000000 -0.00000000 7.43840198 1 [/CIF]
CuRhRu
I4mm
107
tetragonal
4mm
10,864.536285
false
[CIF] data_YFeCoTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44869942 _cell_length_b 4.44869942 _cell_length_c 4.44869942 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFeCoTc _chemical_formula_sum 'Y1 Fe1 Co1 Tc1' _cell_volume 62.25642713 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.14570553 3.14570553 3.14570553 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.57285276 1.57285276 1.57285277 1 Y Y3 1 4.71855829 4.71855829 4.71855829 1 [/CIF]
CoFeTcY
F-43m
216
cubic
-43m
8,070.860249
false
[CIF] data_KNi2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70281450 _cell_length_b 3.09318169 _cell_length_c 7.99877087 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNi2Rh _chemical_formula_sum 'K1 Ni2 Rh1' _cell_volume 66.87209469 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.05469377 1 Ni Ni1 1 1.35140725 1.54659085 0.63420694 1 Ni Ni2 1 0.00000000 0.00000000 1.89605880 1 Rh Rh3 1 1.35140725 1.54659085 3.41319671 1 [/CIF]
KNi2Rh
Pmm2
25
orthorhombic
mm2
6,441.07571
false
[CIF] data_Be2TlGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28333522 _cell_length_b 6.28333522 _cell_length_c 6.28333522 _cell_angle_alpha 152.40718038 _cell_angle_beta 144.80019008 _cell_angle_gamma 45.29889236 _symmetry_Int_Tables_number 1 _chemical_formula_structural Be2TlGa _chemical_formula_sum 'Be2 Tl1 Ga1' _cell_volume 66.03130049 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.44181987 1 Be Be1 1 -0.00000000 1.89988145 3.94830720 1 Ga Ga2 1 -0.00000000 -0.00000000 5.44514970 1 Tl Tl3 1 1.49840332 -0.00000000 2.35973631 1 [/CIF]
Be2GaTl
Imm2
44
orthorhombic
mm2
7,346.430807
false
[CIF] data_YBi2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40999250 _cell_length_b 4.40999250 _cell_length_c 6.30520377 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBi2Te _chemical_formula_sum 'Y1 Bi2 Te1' _cell_volume 122.62381607 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.20499625 2.20499625 1.49383077 1 Bi Bi1 1 2.20499625 2.20499625 4.81137300 1 Te Te2 1 0.00000000 0.00000000 3.15260189 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2TeY
P4/mmm
123
tetragonal
4/mmm
8,592.842813
false
[CIF] data_Hf2ScSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12107556 _cell_length_b 3.12107556 _cell_length_c 8.37520573 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ScSi _chemical_formula_sum 'Hf2 Sc1 Si1' _cell_volume 81.58382249 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.56053778 1.56053778 8.14992342 1 Hf Hf1 1 0.00000000 0.00000000 1.98838573 1 Sc Sc2 1 1.56053778 1.56053778 4.49267107 1 Si Si3 1 0.00000000 0.00000000 6.30703402 1 [/CIF]
Hf2ScSi
P4mm
99
tetragonal
4mm
8,752.560646
false
[CIF] data_MgNb2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53609277 _cell_length_b 5.53609277 _cell_length_c 5.53609277 _cell_angle_alpha 140.70298129 _cell_angle_beta 135.44067912 _cell_angle_gamma 60.89592328 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNb2Hg _chemical_formula_sum 'Mg1 Nb2 Hg1' _cell_volume 74.58802751 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 4.77260895 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 0.00000000 2.09888608 2.36736132 1 Nb Nb3 1 1.86150588 -0.00000000 2.40524763 1 [/CIF]
HgMgNb2
Immm
71
orthorhombic
mmm
9,143.508727
false
[CIF] data_TiNiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35508798 _cell_length_b 4.35508798 _cell_length_c 4.35508798 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNiSn _chemical_formula_sum 'Ti1 Ni1 Sn1' _cell_volume 58.40846588 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.61926836 4.61926836 4.61926836 1 Sn Sn1 1 1.53975612 1.53975612 1.53975612 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NiSnTi
F-43m
216
cubic
-43m
6,404.384949
false
[CIF] data_Ti2AlTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74182024 _cell_length_b 4.74182024 _cell_length_c 4.74182024 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2AlTl _chemical_formula_sum 'Ti2 Al1 Tl1' _cell_volume 75.39113153 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 3.35297325 3.35297325 3.35297325 1 Ti Ti2 1 5.02945987 5.02945987 5.02945987 1 Tl Tl3 1 1.67648662 1.67648662 1.67648663 1 [/CIF]
AlTi2Tl
F-43m
216
cubic
-43m
7,204.566228
false
[CIF] data_LiSc2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95092143 _cell_length_b 4.95092143 _cell_length_c 2.99128901 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.26070636 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSc2Co _chemical_formula_sum 'Li1 Sc2 Co1' _cell_volume 70.38831488 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.97053552 -0.00000000 0.00000000 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 1.48526776 1.98037508 1.49564451 1 Sc Sc3 1 1.48526776 -1.98037507 1.49564451 1 [/CIF]
CoLiSc2
Cmmm
65
orthorhombic
mmm
3,675.166411
false
[CIF] data_Y2GaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26374178 _cell_length_b 5.26374178 _cell_length_c 5.26374178 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2GaTe _chemical_formula_sum 'Y2 Ga1 Te1' _cell_volume 103.12613274 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 3.72202751 3.72202751 3.72202751 1 Y Y2 1 5.58304127 5.58304127 5.58304127 1 Y Y3 1 1.86101376 1.86101376 1.86101376 1 [/CIF]
GaTeY2
Fm-3m
225
cubic
m-3m
6,040.426496
false
[CIF] data_MgTaNbCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58922604 _cell_length_b 4.58922604 _cell_length_c 4.58922604 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTaNbCu _chemical_formula_sum 'Mg1 Ta1 Nb1 Cu1' _cell_volume 68.34446503 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.86760928 4.86760928 4.86760928 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.62253643 1.62253643 1.62253642 1 Ta Ta3 1 3.24507285 3.24507285 3.24507285 1 [/CIF]
CuMgNbTa
F-43m
216
cubic
-43m
8,788.212982
false
[CIF] data_GaTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.53109827 _cell_length_b 9.53109827 _cell_length_c 9.53109827 _cell_angle_alpha 161.13368085 _cell_angle_beta 161.13368085 _cell_angle_gamma 26.80439693 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaTe2 _chemical_formula_sum 'Ga1 Te2' _cell_volume 90.49804001 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Te Te1 1 0.00000000 -0.00000000 6.62134841 1 Te Te2 1 0.00000000 0.00000000 11.92172705 1 [/CIF]
GaTe2
I4/mmm
139
tetragonal
4/mmm
5,961.978128
false
[CIF] data_BaCrCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43246575 _cell_length_b 5.43246575 _cell_length_c 5.43246575 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCrCl _chemical_formula_sum 'Ba1 Cr1 Cl1' _cell_volume 113.36421701 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 3.84133337 3.84133337 3.84133337 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Cr Cr2 1 5.76200006 5.76200006 5.76200006 1 [/CIF]
BaClCr
F-43m
216
cubic
-43m
3,292.480689
false
[CIF] data_MgTiNiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52309762 _cell_length_b 4.52309762 _cell_length_c 4.52309762 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiNiHg _chemical_formula_sum 'Mg1 Ti1 Ni1 Hg1' _cell_volume 65.43240535 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.19831300 3.19831300 3.19831300 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 4.79746950 4.79746950 4.79746950 1 Ti Ti3 1 1.59915650 1.59915650 1.59915650 1 [/CIF]
HgMgNiTi
F-43m
216
cubic
-43m
8,411.652263
false
[CIF] data_Tc2HgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86300453 _cell_length_b 4.02284951 _cell_length_c 5.74440442 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2HgW _chemical_formula_sum 'Tc2 Hg1 W1' _cell_volume 66.16081239 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 1.43150226 2.01142476 4.32474294 1 Tc Tc1 1 0.00000000 0.00000000 0.21599242 1 Tc Tc2 1 1.43150226 2.01142476 1.41201884 1 W W3 1 0.00000000 0.00000000 2.66385243 1 [/CIF]
HgTc2W
Pmm2
25
orthorhombic
mm2
14,613.427744
false
[CIF] data_TaTi2Tc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14593583 _cell_length_b 3.14593583 _cell_length_c 6.71867738 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi2Tc _chemical_formula_sum 'Ta1 Ti2 Tc1' _cell_volume 66.49416044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 1.57296791 1.57296791 3.49233054 1 Tc Tc1 1 0.00000000 0.00000000 5.06619980 1 Ti Ti2 1 1.57296791 1.57296791 6.55919681 1 Ti Ti3 1 0.00000000 0.00000000 1.67896630 1 [/CIF]
TaTcTi2
P4mm
99
tetragonal
4mm
9,379.4504
false
[CIF] data_CrAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36594360 _cell_length_b 3.36594360 _cell_length_c 7.02516890 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrAs3 _chemical_formula_sum 'Cr1 As3' _cell_volume 68.92885587 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000002 1.94332845 1.51987120 1 As As1 1 -0.00000002 1.94332845 5.50529770 1 As As2 1 0.00000000 0.00000000 3.51258445 1 Cr Cr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
As3Cr
P-6m2
187
hexagonal
-6m2
6,667.342441
false
[CIF] data_Ni2BRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37541015 _cell_length_b 4.37541015 _cell_length_c 4.41074547 _cell_angle_alpha 119.73465669 _cell_angle_beta 119.73465669 _cell_angle_gamma 36.70044272 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2BRh _chemical_formula_sum 'Ni2 B1 Rh1' _cell_volume 43.02597835 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.05571617 0.00000000 3.35198687 1 Ni Ni1 1 5.75874405 -0.00000000 3.34402232 1 Ni Ni2 1 5.71509436 0.00000000 0.77564442 1 Rh Rh3 1 3.47289175 0.00000000 1.92990494 1 [/CIF]
BNi2Rh
Cm
8
monoclinic
m
8,919.170994
false
[CIF] data_LiTlF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88641854 _cell_length_b 3.88641854 _cell_length_c 3.88641854 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTlF3 _chemical_formula_sum 'Li1 Tl1 F3' _cell_volume 58.70143361 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tl Tl0 1 1.94320927 1.94320927 1.94320927 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 F F2 1 0.00000000 1.94320927 0.00000000 1 F F3 1 0.00000000 0.00000000 1.94320927 1 F F4 1 1.94320927 0.00000000 0.00000000 1 [/CIF]
F3LiTl
Pm-3m
221
cubic
m-3m
7,590.189892
false
[CIF] data_AgGeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41554492 _cell_length_b 5.41554492 _cell_length_c 5.41554492 _cell_angle_alpha 147.99849723 _cell_angle_beta 143.89357148 _cell_angle_gamma 49.00767182 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgGeRh _chemical_formula_sum 'Ag1 Ge1 Rh1' _cell_volume 49.38281964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01169797 1 Ge Ge1 1 0.00000000 -0.00000000 6.82176486 1 Rh Rh2 1 0.00000000 -0.00000000 3.02210871 1 [/CIF]
AgGeRh
Imm2
44
orthorhombic
mm2
9,530.025305
false
[CIF] data_FeNi2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03531292 _cell_length_b 3.31346281 _cell_length_c 5.90654609 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.91961805 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeNi2Pb _chemical_formula_sum 'Fe1 Ni2 Pb1' _cell_volume 59.18562916 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 1.44985603 1.65673141 1.19367253 1 Ni Ni2 1 1.07892292 1.65673141 4.69111379 1 Pb Pb3 1 -0.25326699 0.00000000 2.94239316 1 [/CIF]
FeNi2Pb
P2/m
10
monoclinic
2/m
10,673.568483
false
[CIF] data_V2NiPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68274486 _cell_length_b 3.68274486 _cell_length_c 3.86613567 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2NiPt _chemical_formula_sum 'V2 Ni1 Pt1' _cell_volume 52.43488901 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.84137243 1.84137243 0.00000000 1 V V2 1 1.84137243 0.00000000 1.93306783 1 V V3 1 0.00000000 1.84137243 1.93306783 1 [/CIF]
NiPtV2
P4/mmm
123
tetragonal
4/mmm
11,263.545008
false
[CIF] data_LaCr2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84021121 _cell_length_b 4.84021121 _cell_length_c 4.84021121 _cell_angle_alpha 125.30794344 _cell_angle_beta 125.30794344 _cell_angle_gamma 81.02859374 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCr2Se _chemical_formula_sum 'La1 Cr2 Se1' _cell_volume 72.76430822 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22341526 1.83987049 1 Cr Cr1 1 0.00000000 0.00000000 0.00000000 1 La La2 1 2.22341526 -0.00000000 1.83987049 1 Se Se3 1 -0.00000000 -0.00000000 3.67974098 1 [/CIF]
Cr2LaSe
I-4m2
119
tetragonal
-42m
7,345.046603
false
[CIF] data_NaAcNd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89734119 _cell_length_b 5.89734119 _cell_length_c 5.89734119 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAcNd2 _chemical_formula_sum 'Na1 Ac1 Nd2' _cell_volume 145.02863741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.17004995 4.17004995 4.17004995 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Nd Nd2 1 2.08502497 2.08502497 2.08502497 1 Nd Nd3 1 6.25507492 6.25507492 6.25507492 1 [/CIF]
AcNaNd2
Fm-3m
225
cubic
m-3m
6,165.380481
false
[CIF] data_Hf2ZrTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80739133 _cell_length_b 4.80739133 _cell_length_c 4.80739133 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ZrTc _chemical_formula_sum 'Hf2 Zr1 Tc1' _cell_volume 78.56216265 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.09900851 5.09900851 5.09900851 1 Hf Hf1 1 3.39933901 3.39933901 3.39933901 1 Tc Tc2 1 1.69966951 1.69966951 1.69966950 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2TcZr
F-43m
216
cubic
-43m
11,564.063797
false
[CIF] data_HfMgZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46609429 _cell_length_b 4.46609429 _cell_length_c 4.46609429 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgZn _chemical_formula_sum 'Hf1 Mg1 Zn1' _cell_volume 62.98957332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 3.15800556 3.15800556 3.15800556 1 Mg Mg1 1 -0.00000000 -0.00000000 0.00000000 1 Zn Zn2 1 1.57900278 1.57900278 1.57900278 1 [/CIF]
HfMgZn
F-43m
216
cubic
-43m
7,069.663131
false
[CIF] data_Ba2MoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04651078 _cell_length_b 6.04651078 _cell_length_c 3.07444934 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.70823875 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MoRu _chemical_formula_sum 'Ba2 Mo1 Ru1' _cell_volume 105.81844527 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74036785 -2.47208270 1.53722467 1 Ba Ba1 1 1.74036785 2.47208271 1.53722467 1 Mo Mo2 1 0.00000000 -0.00000000 0.00000000 1 Ru Ru3 1 3.48073570 -0.00000000 0.00000000 1 [/CIF]
Ba2MoRu
Cmmm
65
orthorhombic
mmm
7,401.825902
false
[CIF] data_VZnOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76150265 _cell_length_b 2.76150265 _cell_length_c 6.49438383 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZnOs _chemical_formula_sum 'V1 Zn1 Os1' _cell_volume 42.89034236 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38075134 0.79717714 0.08142386 1 V V1 1 0.00000000 0.00000000 2.08804253 1 Zn Zn2 1 0.00000001 1.59435429 4.32491744 1 [/CIF]
OsVZn
P3m1
156
trigonal
3m
11,868.423399
false
[CIF] data_BaMn4Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07893320 _cell_length_b 5.07893320 _cell_length_c 5.07893320 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMn4Al _chemical_formula_sum 'Ba1 Mn4 Al1' _cell_volume 92.64084461 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79567406 1.79567406 1.79567406 1 Mn Mn2 1 2.67072187 2.67072187 4.51197435 1 Mn Mn3 1 2.67072187 4.51197435 2.67072187 1 Mn Mn4 1 4.51197435 2.67072187 2.67072187 1 Mn Mn5 1 4.51197435 4.51197435 4.51197435 1 [/CIF]
AlBaMn4
F-43m
216
cubic
-43m
6,884.089085
false
[CIF] data_TaPt2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44623943 _cell_length_b 6.44623943 _cell_length_c 6.44623943 _cell_angle_alpha 153.58580995 _cell_angle_beta 138.43881444 _cell_angle_gamma 49.92054519 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaPt2Br _chemical_formula_sum 'Ta1 Pt2 Br1' _cell_volume 78.74063699 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 -0.00000000 0.00000000 7.92796839 1 Pt Pt1 1 1.47278153 -0.00000000 0.53406267 1 Pt Pt2 1 0.00000000 -0.00000000 3.47726026 1 Ta Ta3 1 1.47278153 0.00000000 5.59320233 1 [/CIF]
BrPt2Ta
Imm2
44
orthorhombic
mm2
13,729.174479
false
[CIF] data_Ti4ZnCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29934437 _cell_length_b 5.29934437 _cell_length_c 5.29934437 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4ZnCd _chemical_formula_sum 'Ti4 Zn1 Cd1' _cell_volume 105.23287350 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 5.62080351 5.62080351 5.62080351 1 Ti Ti1 1 4.68634553 2.80805915 4.68634553 1 Ti Ti2 1 2.80805915 4.68634553 4.68634553 1 Ti Ti3 1 2.80805915 2.80805915 2.80805915 1 Ti Ti4 1 4.68634553 4.68634553 2.80805915 1 Zn Zn5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdTi4Zn
F-43m
216
cubic
-43m
5,826.78183
false
[CIF] data_HfAlNiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67110913 _cell_length_b 4.67110913 _cell_length_c 4.67110913 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAlNiSn _chemical_formula_sum 'Hf1 Al1 Ni1 Sn1' _cell_volume 72.06842695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hf Hf1 1 3.30297294 3.30297294 3.30297294 1 Ni Ni2 1 4.95445941 4.95445941 4.95445941 1 Sn Sn3 1 1.65148647 1.65148647 1.65148647 1 [/CIF]
AlHfNiSn
F-43m
216
cubic
-43m
8,821.876931
false
[CIF] data_Mg2Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89192768 _cell_length_b 6.89192768 _cell_length_c 6.89192768 _cell_angle_alpha 154.58684032 _cell_angle_beta 154.58684032 _cell_angle_gamma 36.24719975 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Ti _chemical_formula_sum 'Mg2 Ti1' _cell_volume 60.20927124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.65208602 1 Mg Mg1 1 0.00000000 0.00000000 4.44792036 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg2Ti
I4/mmm
139
tetragonal
4/mmm
2,660.783383
false
[CIF] data_CuIr2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75189642 _cell_length_b 2.75189642 _cell_length_c 7.54566641 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuIr2Pt _chemical_formula_sum 'Cu1 Ir2 Pt1' _cell_volume 57.14283300 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.69291344 1 Ir Ir1 1 1.37594821 1.37594821 0.00049847 1 Ir Ir2 1 0.00000000 0.00000000 1.81664620 1 Pt Pt3 1 1.37594821 1.37594821 3.80844151 1 [/CIF]
CuIr2Pt
P4mm
99
tetragonal
4mm
18,687.083545
false
[CIF] data_ScTa2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61860148 _cell_length_b 4.61860148 _cell_length_c 3.11094197 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTa2Fe _chemical_formula_sum 'Sc1 Ta2 Fe1' _cell_volume 66.36099527 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.30930074 2.30930074 0.00000000 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 0.00000000 2.30930074 1.55547098 1 Ta Ta3 1 2.30930074 0.00000000 1.55547098 1 [/CIF]
FeScTa2
P4/mmm
123
tetragonal
4/mmm
11,577.974332
false
[CIF] data_Al3Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88963621 _cell_length_b 4.88963621 _cell_length_c 9.97635094 _cell_angle_alpha 100.01379957 _cell_angle_beta 100.01379957 _cell_angle_gamma 34.84298952 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al3Ag _chemical_formula_sum 'Al6 Ag2' _cell_volume 133.99136233 _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 Ag Ag0 1 0.80082852 0.00000000 8.52658782 1 Ag Ag1 1 6.71170672 0.00000000 1.28269012 1 Al Al2 1 0.00000000 0.00000000 0.00000000 1 Al Al3 1 4.14544721 -0.00000000 2.46142926 1 Al Al4 1 1.60665782 0.00000000 3.69605304 1 Al Al5 1 -0.90907156 0.00000000 4.90463897 1 Al Al6 1 5.90587742 0.00000000 6.11322490 1 Al Al7 1 3.36708803 0.00000000 7.34784868 1 [/CIF]
Ag2Al6
C2/m
12
monoclinic
2/m
4,679.876865
false
[CIF] data_NaTi2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94746916 _cell_length_b 3.99962533 _cell_length_c 6.79834179 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTi2Ir _chemical_formula_sum 'Na1 Ti2 Ir1' _cell_volume 80.14410346 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47373458 1.99981267 2.82787632 1 Na Na1 1 0.00000000 0.00000000 4.99807052 1 Ti Ti2 1 1.47373458 1.99981267 0.48167992 1 Ti Ti3 1 0.00000000 0.00000000 1.88988585 1 [/CIF]
IrNaTi2
Pmm2
25
orthorhombic
mm2
6,442.511333
false
[CIF] data_MgAl2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25727006 _cell_length_b 5.25727006 _cell_length_c 4.80708998 _cell_angle_alpha 99.62904217 _cell_angle_beta 99.62904217 _cell_angle_gamma 34.04156481 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAl2Ge _chemical_formula_sum 'Mg1 Al2 Ge1' _cell_volume 73.22890499 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.35575367 -0.00000000 1.19445124 1 Al Al1 1 1.85732767 -0.00000000 3.53851700 1 Ge Ge2 1 4.60654067 -0.00000000 2.36648412 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Al2GeMg
C2/m
12
monoclinic
2/m
3,421.992418
false
[CIF] data_NaBeTcIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26746547 _cell_length_b 4.26746547 _cell_length_c 4.26746547 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBeTcIr _chemical_formula_sum 'Na1 Be1 Tc1 Ir1' _cell_volume 54.95346082 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 4.52633066 4.52633066 4.52633066 1 Na Na2 1 1.50877689 1.50877689 1.50877688 1 Tc Tc3 1 3.01755377 3.01755377 3.01755377 1 [/CIF]
BeIrNaTc
F-43m
216
cubic
-43m
9,763.9335
false
[CIF] data_RuPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39613562 _cell_length_b 3.39613562 _cell_length_c 8.56161621 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RuPb3 _chemical_formula_sum 'Ru1 Pb3' _cell_volume 98.74743094 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.69806781 1.69806781 1.68017472 1 Pb Pb1 1 0.00000000 0.00000000 4.28080811 1 Pb Pb2 1 1.69806781 1.69806781 6.88144149 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Pb3Ru
P4/mmm
123
tetragonal
4/mmm
12,152.435317
false
[CIF] data_TlGa2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56649304 _cell_length_b 5.56649304 _cell_length_c 3.13629085 _cell_angle_alpha 102.48153640 _cell_angle_beta 102.48153640 _cell_angle_gamma 118.97601212 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlGa2Fe _chemical_formula_sum 'Tl1 Ga2 Fe1' _cell_volume 76.92862756 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 0.74558042 2.39783061 1.41897470 1 Ga Ga2 1 0.74558042 -2.39783060 1.41897470 1 Tl Tl3 1 2.82621272 -0.00000000 0.00000000 1 [/CIF]
FeGa2Tl
C2/m
12
monoclinic
2/m
8,627.149738
false
[CIF] data_NbCoHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63307194 _cell_length_b 4.63307194 _cell_length_c 4.63307194 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCoHg2 _chemical_formula_sum 'Nb1 Co1 Hg2' _cell_volume 70.32214913 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.27607659 3.27607659 3.27607659 1 Hg Hg2 1 4.91411489 4.91411489 4.91411489 1 Nb Nb3 1 1.63803830 1.63803830 1.63803829 1 [/CIF]
CoHg2Nb
F-43m
216
cubic
-43m
13,058.625486
false
[CIF] data_NbTcBiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68404084 _cell_length_b 4.68404084 _cell_length_c 4.68404084 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTcBiMo _chemical_formula_sum 'Nb1 Tc1 Bi1 Mo1' _cell_volume 72.66863804 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.96817556 4.96817556 4.96817556 1 Mo Mo1 1 3.31211704 3.31211704 3.31211704 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Tc Tc3 1 1.65605852 1.65605852 1.65605852 1 [/CIF]
BiMoNbTc
F-43m
216
cubic
-43m
11,351.220444
false
[CIF] data_K2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64393248 _cell_length_b 5.64393248 _cell_length_c 3.05850269 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Rh _chemical_formula_sum 'K2 Rh1' _cell_volume 84.37292736 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.82196624 1.62926297 1.04744915 1 K K1 1 -0.00000000 3.25852593 2.01105354 1 Rh Rh2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2Rh
P-3m1
164
trigonal
-3m
3,564.417421
false
[CIF] data_SiGeRh4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14499316 _cell_length_b 5.14499316 _cell_length_c 5.14499316 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiGeRh4 _chemical_formula_sum 'Si1 Ge1 Rh4' _cell_volume 96.30290910 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.81902977 1.81902978 1.81902977 1 Rh Rh1 1 2.72788026 2.72788026 4.54823884 1 Rh Rh2 1 2.72788026 4.54823884 2.72788026 1 Rh Rh3 1 4.54823884 2.72788026 2.72788026 1 Rh Rh4 1 4.54823884 4.54823884 4.54823884 1 Si Si5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GeRh4Si
F-43m
216
cubic
-43m
8,834.344127
false
[CIF] data_Li2Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89034849 _cell_length_b 6.89034849 _cell_length_c 6.89034849 _cell_angle_alpha 156.99537247 _cell_angle_beta 156.99537247 _cell_angle_gamma 32.75978789 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Ta _chemical_formula_sum 'Li2 Ta1' _cell_volume 49.91972162 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.85225066 1 Li Li1 1 0.00000000 -0.00000000 4.36912908 1 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Li2Ta
I4/mmm
139
tetragonal
4/mmm
6,480.857997
false
[CIF] data_Pd2PbCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.97907464 _cell_length_b 7.97907464 _cell_length_c 7.97907464 _cell_angle_alpha 25.13999437 _cell_angle_beta 25.13999437 _cell_angle_gamma 25.13999437 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pd2PbCl _chemical_formula_sum 'Pd2 Pb1 Cl1' _cell_volume 80.67315655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.00000000 0.00000000 11.58453022 1 Pd Pd2 1 -0.00000000 0.00000000 17.35671911 1 Pd Pd3 1 -0.00000000 0.00000000 5.81234133 1 [/CIF]
ClPbPd2
R-3m
166
trigonal
-3m
9,375.657956
false