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_KGa2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19480727 _cell_length_b 4.19480727 _cell_length_c 6.69888631 _cell_angle_alpha 107.87890177 _cell_angle_beta 107.87890177 _cell_angle_gamma 59.81147213 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGa2Co _chemical_formula_sum 'K1 Ga2 Co1' _cell_volume 95.28527403 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 4.88228389 -0.00000000 0.07994855 1 Ga Ga1 1 0.03490842 0.00000000 0.44221636 1 Ga Ga2 1 0.07946080 0.00000000 5.81843734 1 K K3 1 2.35335377 -0.00000000 3.05642689 1 [/CIF]
CoGa2K
Cm
8
monoclinic
m
4,138.526775
false
[CIF] data_MnBeRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17997300 _cell_length_b 5.98076790 _cell_length_c 2.57125927 _cell_angle_alpha 82.17217829 _cell_angle_beta 73.48557674 _cell_angle_gamma 24.34224497 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBeRe _chemical_formula_sum 'Mn1 Be1 Re1' _cell_volume 35.69775327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 1.44722019 2.12530655 0.06920123 1 Mn Mn1 1 1.44722019 2.12530655 7.63827940 1 Re Re2 1 1.44722019 2.12530655 3.89857625 1 [/CIF]
BeMnRe
Fmm2
42
orthorhombic
mm2
11,636.470371
false
[CIF] data_CrNiBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24700823 _cell_length_b 3.24700823 _cell_length_c 8.29616384 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.16050145 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrNiBi2 _chemical_formula_sum 'Cr1 Ni1 Bi2' _cell_volume 87.40479705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.83124451 1 Bi Bi1 1 2.25228776 0.00000000 5.45575769 1 Cr Cr2 1 0.00000000 0.00000000 3.64083040 1 Ni Ni3 1 2.25228776 0.00000000 2.51641316 1 [/CIF]
Bi2CrNi
Cmm2
35
orthorhombic
mm2
10,043.435891
false
[CIF] data_MgAsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80650378 _cell_length_b 4.80650378 _cell_length_c 4.80650378 _cell_angle_alpha 140.07450178 _cell_angle_beta 133.51877769 _cell_angle_gamma 62.90470005 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAsPd _chemical_formula_sum 'Mg1 As1 Pd1' _cell_volume 51.04575076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01142681 1 Mg Mg1 1 0.00000000 0.00000000 5.49059876 1 Pd Pd2 1 -0.00000000 -0.00000000 2.69858513 1 [/CIF]
AsMgPd
Imm2
44
orthorhombic
mm2
6,689.767672
false
[CIF] data_SrZr2Re _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99802248 _cell_length_b 4.99802248 _cell_length_c 4.99802248 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZr2Re _chemical_formula_sum 'Sr1 Zr2 Re1' _cell_volume 88.28351543 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.53413559 3.53413559 3.53413559 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 5.30120338 5.30120339 5.30120339 1 Zr Zr3 1 1.76706779 1.76706779 1.76706780 1 [/CIF]
ReSrZr2
Fm-3m
225
cubic
m-3m
8,582.151027
false
[CIF] data_CaVAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78378020 _cell_length_b 4.78378020 _cell_length_c 3.68153978 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaVAg _chemical_formula_sum 'Ca1 V1 Ag1' _cell_volume 72.96297996 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.39189012 1.38095838 1.84076989 1 Ca Ca1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 0.00000002 2.76191677 1.84076989 1 [/CIF]
AgCaV
P-6m2
187
hexagonal
-6m2
4,526.415943
false
[CIF] data_AgBiSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15834139 _cell_length_b 4.21683882 _cell_length_c 8.22164945 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.03799704 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgBiSb2 _chemical_formula_sum 'Ag1 Bi1 Sb2' _cell_volume 109.49768373 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.77070182 0.00000000 4.17137009 1 Bi Bi1 1 0.07593322 2.10841941 2.32536987 1 Sb Sb2 1 2.94543080 0.00000000 8.14358161 1 Sb Sb3 1 3.09015668 2.10841941 5.91379760 1 [/CIF]
AgBiSb2
Pm
6
monoclinic
m
8,498.02407
false
[CIF] data_TaGe2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15446178 _cell_length_b 3.15446178 _cell_length_c 6.45609912 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGe2Mo _chemical_formula_sum 'Ta1 Ge2 Mo1' _cell_volume 64.24224791 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.57723089 1.57723089 4.97315194 1 Ge Ge1 1 1.57723089 1.57723089 1.48294718 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 0.00000000 0.00000000 3.22804956 1 [/CIF]
Ge2MoTa
P4/mmm
123
tetragonal
4/mmm
10,912.748089
false
[CIF] data_KLaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00514954 _cell_length_b 5.00514954 _cell_length_c 5.00514954 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLaRu _chemical_formula_sum 'K1 La1 Ru1' _cell_volume 88.66172456 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 3.53917518 3.53917518 3.53917518 1 Ru Ru2 1 1.76958759 1.76958759 1.76958759 1 [/CIF]
KLaRu
F-43m
216
cubic
-43m
5,226.752579
false
[CIF] data_K5P3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82615172 _cell_length_b 7.82615172 _cell_length_c 9.33649227 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K5P3Pd _chemical_formula_sum 'K10 P6 Pd2' _cell_volume 571.84755422 _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 K K0 1 0.00000000 0.00000000 4.66824614 1 K K1 1 3.91307586 3.91307586 4.66824614 1 K K2 1 1.77449906 5.68757492 1.90852999 1 K K3 1 6.05165266 2.13857680 1.90852999 1 K K4 1 2.13857680 1.77449906 1.90852999 1 K K5 1 5.68757492 6.05165266 1.90852999 1 K K6 1 2.13857680 1.77449906 7.42796228 1 K K7 1 5.68757492 6.05165266 7.42796228 1 K K8 1 1.77449906 5.68757492 7.42796228 1 K K9 1 6.05165266 2.13857680 7.42796228 1 P P10 1 0.00000000 0.00000000 0.00000000 1 P P11 1 3.91307586 3.91307586 0.00000000 1 P P12 1 4.64469833 0.73162247 4.66824614 1 P P13 1 3.18145339 7.09452925 4.66824614 1 P P14 1 7.09452925 4.64469833 4.66824614 1 P P15 1 0.73162247 3.18145339 4.66824614 1 Pd Pd16 1 0.00000000 3.91307586 0.00000000 1 Pd Pd17 1 3.91307586 0.00000000 0.00000000 1 [/CIF]
K10P6Pd2
P4/mbm
127
tetragonal
4/mmm
2,293.042127
false
[CIF] data_LiLaYNb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27490455 _cell_length_b 5.27490455 _cell_length_c 5.27490455 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaYNb _chemical_formula_sum 'Li1 La1 Y1 Nb1' _cell_volume 103.78362106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.86496039 1.86496039 1.86496039 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 3.72992078 3.72992078 3.72992078 1 Y Y3 1 5.59488117 5.59488117 5.59488117 1 [/CIF]
LaLiNbY
F-43m
216
cubic
-43m
5,242.542766
false
[CIF] data_GeC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72879012 _cell_length_b 4.72879012 _cell_length_c 8.66641042 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeC3 _chemical_formula_sum 'Ge4 C12' _cell_volume 167.83014186 _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 C C0 1 -1.18219753 2.04762619 4.33320521 1 C C1 1 -1.18219753 2.04762619 0.00000000 1 C C2 1 1.18219753 2.04762619 4.33320521 1 C C3 1 2.36439506 0.00000000 4.33320521 1 C C4 1 2.36439506 0.00000000 0.00000000 1 C C5 1 1.18219753 2.04762619 0.00000000 1 C C6 1 0.74136115 3.15819331 6.49980782 1 C C7 1 1.62303391 0.93705906 2.16660261 1 C C8 1 -0.74136115 3.15819331 6.49980782 1 C C9 1 0.00000000 1.87411812 6.49980782 1 C C10 1 2.36439506 2.22113425 2.16660261 1 C C11 1 3.10575621 0.93705906 2.16660261 1 Ge Ge12 1 0.00000000 0.00000000 4.33320521 1 Ge Ge13 1 0.00000000 0.00000000 0.00000000 1 Ge Ge14 1 2.36439506 1.36508412 6.49980782 1 Ge Ge15 1 0.00000000 2.73016825 2.16660261 1 [/CIF]
C12Ge4
P6_3/mmc
194
hexagonal
6/mmm
4,300.878627
false
[CIF] data_Mg2Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97002924 _cell_length_b 4.97002924 _cell_length_c 2.95438631 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Ga _chemical_formula_sum 'Mg2 Ga1' _cell_volume 63.19981421 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 -0.00000000 2.86944772 1.47719316 1 Mg Mg2 1 2.48501462 1.43472386 1.47719316 1 [/CIF]
Ga2Mg4
P6/mmm
191
hexagonal
6/mmm
3,109.132073
false
[CIF] data_TaSn2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15593497 _cell_length_b 5.30603560 _cell_length_c 5.47485505 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSn2Br _chemical_formula_sum 'Ta1 Sn2 Br1' _cell_volume 91.67920332 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 0.00000000 2.65301780 2.73742753 1 Sn Sn2 1 1.57796749 2.65301780 0.00000000 1 Ta Ta3 1 1.57796749 0.00000000 2.73742753 1 [/CIF]
BrSn2Ta
Pmmm
47
orthorhombic
mmm
9,024.94669
false
[CIF] data_KAl2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93482474 _cell_length_b 5.93482474 _cell_length_c 5.93482474 _cell_angle_alpha 153.19758366 _cell_angle_beta 122.82951305 _cell_angle_gamma 64.23329036 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAl2B _chemical_formula_sum 'K1 Al2 B1' _cell_volume 78.53360168 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.83961018 3.27987883 1 Al Al1 1 1.37550493 0.00000000 1.74672489 1 B B2 1 0.00000000 0.00000000 0.00000000 1 K K3 1 0.00000000 0.00000000 5.02660372 1 [/CIF]
Al2BK
Immm
71
orthorhombic
mmm
2,196.310071
false
[CIF] data_ZnCoGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83995632 _cell_length_b 4.83995632 _cell_length_c 4.29975657 _cell_angle_alpha 95.79573541 _cell_angle_beta 95.79573541 _cell_angle_gamma 35.95662650 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCoGe2 _chemical_formula_sum 'Zn1 Co1 Ge2' _cell_volume 58.80728914 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.70687988 0.00000000 1.02019789 1 Ge Ge1 1 0.15347731 -0.00000000 0.13142115 1 Ge Ge2 1 1.97741790 -0.00000000 3.11298371 1 Zn Zn3 1 4.28840648 -0.00000000 2.14858150 1 [/CIF]
CoGe2Zn
Cm
8
monoclinic
m
7,612.492243
false
[CIF] data_YTlTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12907855 _cell_length_b 3.12907855 _cell_length_c 8.23114431 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTlTc2 _chemical_formula_sum 'Y1 Tl1 Tc2' _cell_volume 80.59222516 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tc Tc0 1 1.56453928 1.56453928 0.34633075 1 Tc Tc1 1 0.00000000 0.00000000 1.67986716 1 Tl Tl2 1 1.56453928 1.56453928 3.84913561 1 Y Y3 1 0.00000000 0.00000000 6.47138303 1 [/CIF]
Tc2TlY
P4mm
99
tetragonal
4mm
10,118.759072
false
[CIF] data_ZnTcRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13332339 _cell_length_b 4.13332339 _cell_length_c 4.13332339 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnTcRu _chemical_formula_sum 'Zn1 Tc1 Ru1' _cell_volume 49.93248269 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46135050 1.46135050 1.46135050 1 Tc Tc1 1 2.92270100 2.92270100 2.92270100 1 Zn Zn2 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
RuTcZn
F-43m
216
cubic
-43m
8,824.603002
false
[CIF] data_CaReNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36969597 _cell_length_b 4.36969597 _cell_length_c 4.36969597 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaReNi _chemical_formula_sum 'Ca1 Re1 Ni1' _cell_volume 58.99818682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 3.08984165 3.08984165 3.08984165 1 Re Re2 1 1.54492082 1.54492082 1.54492082 1 [/CIF]
CaNiRe
F-43m
216
cubic
-43m
8,020.886605
false
[CIF] data_Zr2GaAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77077733 _cell_length_b 4.77077733 _cell_length_c 4.77077733 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2GaAs _chemical_formula_sum 'Zr2 Ga1 As1' _cell_volume 76.78076630 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.37344900 3.37344900 3.37344900 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.68672450 1.68672450 1.68672450 1 Zr Zr3 1 5.06017350 5.06017350 5.06017350 1 [/CIF]
AsGaZr2
Fm-3m
225
cubic
m-3m
7,074.037768
false
[CIF] data_GaAg2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79095338 _cell_length_b 2.79095338 _cell_length_c 8.52709113 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAg2W _chemical_formula_sum 'Ga1 Ag2 W1' _cell_volume 66.42110075 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.47927120 1 Ag Ag1 1 1.39547669 1.39547669 2.20654207 1 Ga Ga2 1 0.00000000 0.00000000 4.31469472 1 W W3 1 1.39547669 1.39547669 6.31721991 1 [/CIF]
Ag2GaW
P4mm
99
tetragonal
4mm
11,732.566592
false
[CIF] data_ZnCoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43061371 _cell_length_b 4.43061371 _cell_length_c 4.43061371 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCoPb _chemical_formula_sum 'Zn1 Co1 Pb1' _cell_volume 61.50021919 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 1.56645850 1.56645850 1.56645850 1 Zn Zn2 1 3.13291700 3.13291700 3.13291700 1 [/CIF]
CoPbZn
F-43m
216
cubic
-43m
8,951.03495
false
[CIF] data_Ba2TaHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64847953 _cell_length_b 5.64847953 _cell_length_c 5.64847953 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2TaHg _chemical_formula_sum 'Ba2 Ta1 Hg1' _cell_volume 127.43234650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.99703909 1.99703909 1.99703909 1 Ba Ba1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 5.99111727 5.99111727 5.99111727 1 Ta Ta3 1 3.99407818 3.99407818 3.99407818 1 [/CIF]
Ba2HgTa
F-43m
216
cubic
-43m
8,550.67243
false
[CIF] data_ReSiMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73765814 _cell_length_b 4.73765814 _cell_length_c 2.90008826 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.68356042 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReSiMo2 _chemical_formula_sum 'Re1 Si1 Mo2' _cell_volume 60.05858083 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.31289418 1.97171500 1.45004413 1 Mo Mo1 1 1.31289418 -1.97171500 1.45004413 1 Re Re2 1 2.62578836 -0.00000000 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mo2ReSi
Cmmm
65
orthorhombic
mmm
11,231.229847
false
[CIF] data_TiBiPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62856870 _cell_length_b 4.62856870 _cell_length_c 3.61190817 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.44667826 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiBiPt2 _chemical_formula_sum 'Ti1 Bi1 Pt2' _cell_volume 74.93350450 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.83539239 0.00000000 0.00000000 1 Pt Pt1 1 1.41769619 -1.82922102 1.80595408 1 Pt Pt2 1 1.41769619 1.82922102 1.80595408 1 Ti Ti3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
BiPt2Ti
Cmmm
65
orthorhombic
mmm
14,337.970118
false
[CIF] data_SrTaSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39573760 _cell_length_b 7.39573760 _cell_length_c 7.39573760 _cell_angle_alpha 151.95028465 _cell_angle_beta 150.95640816 _cell_angle_gamma 40.81793320 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTaSe2 _chemical_formula_sum 'Sr1 Ta1 Se2' _cell_volume 92.15472506 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Se Se0 1 -0.00000000 0.00000000 12.95078494 1 Se Se1 1 1.79230401 0.00000000 3.07899947 1 Sr Sr2 1 0.00000000 0.00000000 7.56362695 1 Ta Ta3 1 0.00000000 1.85446848 4.13254116 1 [/CIF]
Se2SrTa
Imm2
44
orthorhombic
mm2
7,684.899344
false
[CIF] data_AsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13352670 _cell_length_b 3.13352670 _cell_length_c 3.13352670 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AsW _chemical_formula_sum 'As1 W1' _cell_volume 30.76806601 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 W W1 1 1.56676335 1.56676335 1.56676335 1 [/CIF]
AsW
Pm-3m
221
cubic
m-3m
13,965.250384
false
[CIF] data_KGaRuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67432891 _cell_length_b 4.67432891 _cell_length_c 4.67432891 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGaRuW _chemical_formula_sum 'K1 Ga1 Ru1 W1' _cell_volume 72.21755940 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.65262483 1.65262483 1.65262484 1 K K1 1 -0.00000000 -0.00000000 0.00000000 1 Ru Ru2 1 4.95787450 4.95787450 4.95787450 1 W W3 1 3.30524967 3.30524967 3.30524967 1 [/CIF]
GaKRuW
F-43m
216
cubic
-43m
9,053.285806
false
[CIF] data_LiDy(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76065554 _cell_length_b 8.76065554 _cell_length_c 9.42673278 _cell_angle_alpha 122.35522545 _cell_angle_beta 122.35522545 _cell_angle_gamma 46.83702521 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiDy(PO3)4 _chemical_formula_sum 'Li2 Dy2 P8 O24' _cell_volume 428.68210711 _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 Dy Dy0 1 6.66457145 -1.42156392 1.91438792 1 Dy Dy1 1 3.91569926 1.42156392 5.74316375 1 Li Li2 1 6.66457145 2.05798292 1.91438792 1 Li Li3 1 3.91569926 -2.05798292 5.74316375 1 O O4 1 3.68519222 1.93150954 3.47197375 1 O O5 1 11.19687466 0.86465288 3.23655067 1 O O6 1 6.84207742 0.58215616 3.17534225 1 O O7 1 2.00242137 -0.51450053 2.67569696 1 O O8 1 13.42935473 0.00681949 2.30949155 1 O O9 1 4.46343372 -0.80190050 2.00735052 1 O O10 1 8.86570919 -0.80190050 1.82142532 1 O O11 1 -0.10021182 0.00681949 1.51928429 1 O O12 1 11.32672154 -0.51450053 1.15307888 1 O O13 1 6.48706549 0.58215616 0.65343359 1 O O14 1 2.13226825 0.86465288 0.59222517 1 O O15 1 9.64395068 1.93150954 0.35680209 1 O O16 1 0.93632003 -1.93150954 7.30074958 1 O O17 1 8.44800246 -0.86465288 7.06532650 1 O O18 1 4.09320522 -0.58215616 7.00411808 1 O O19 1 -0.74645083 0.51450053 6.50447279 1 O O20 1 10.68048253 -0.00681949 6.13826738 1 O O21 1 1.71456152 0.80190050 5.83612635 1 O O22 1 6.11683699 0.80190050 5.65020115 1 O O23 1 -2.84908402 -0.00681949 5.34806012 1 O O24 1 8.57784934 0.51450053 4.98185471 1 O O25 1 3.73819329 -0.58215616 4.48220942 1 O O26 1 -0.61660395 -0.86465288 4.42100100 1 O O27 1 6.89507849 -1.93150954 4.18557792 1 P P28 1 3.45184231 -1.03557056 3.08386169 1 P P29 1 11.99987682 -0.36594393 2.60537712 1 P P30 1 1.32926608 -0.36594393 1.22339871 1 P P31 1 9.87730059 -1.03557056 0.74491414 1 P P32 1 0.70297011 1.03557056 6.91263752 1 P P33 1 9.25100463 0.36594393 6.43415296 1 P P34 1 -1.41960611 0.36594393 5.05217455 1 P P35 1 7.12842840 1.03557056 4.57368998 1 [/CIF]
Dy2Li2O24P8
C2/c
15
monoclinic
2/m
3,759.930722
false
[CIF] data_NaScPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05527568 _cell_length_b 4.33803256 _cell_length_c 5.64180870 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaScPd2 _chemical_formula_sum 'Na1 Sc1 Pd2' _cell_volume 74.77588584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.46362042 1 Pd Pd1 1 1.52763784 2.16901628 5.56615278 1 Pd Pd2 1 0.00000000 0.00000000 1.58034870 1 Sc Sc3 1 1.52763784 2.16901628 2.49439985 1 [/CIF]
NaPd2Sc
Pmm2
25
orthorhombic
mm2
6,235.373715
false
[CIF] data_CoSn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62804871 _cell_length_b 4.62804871 _cell_length_c 4.62804871 _cell_angle_alpha 121.03544426 _cell_angle_beta 121.03544426 _cell_angle_gamma 88.21572314 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoSn2Pt _chemical_formula_sum 'Co1 Sn2 Pt1' _cell_volume 68.96034855 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 0.00000000 0.00000000 3.32308154 1 Sn Sn2 1 -0.00000000 2.27771420 1.66154077 1 Sn Sn3 1 2.27771420 0.00000000 1.66154077 1 [/CIF]
CoPtSn2
I4/mmm
139
tetragonal
4/mmm
11,833.621469
false
[CIF] data_NaZrBeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68236277 _cell_length_b 4.68236277 _cell_length_c 4.68236277 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrBeAu _chemical_formula_sum 'Na1 Zr1 Be1 Au1' _cell_volume 72.59056513 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.31093047 3.31093047 3.31093047 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 4.96639571 4.96639571 4.96639571 1 Zr Zr3 1 1.65546524 1.65546524 1.65546524 1 [/CIF]
AuBeNaZr
F-43m
216
cubic
-43m
7,324.535741
false
[CIF] data_Na2BeV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88918396 _cell_length_b 4.88918396 _cell_length_c 4.88918396 _cell_angle_alpha 121.56363626 _cell_angle_beta 121.56363626 _cell_angle_gamma 87.31238819 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2BeV _chemical_formula_sum 'Na2 Be1 V1' _cell_volume 80.59119042 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Na Na1 1 2.38658984 -0.00000000 1.76865045 1 Na Na2 1 0.00000000 -0.00000000 3.53730090 1 V V3 1 -0.00000000 2.38658984 1.76865045 1 [/CIF]
BeNa2V
I-4m2
119
tetragonal
-42m
2,182.698261
false
[CIF] data_SnB2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95165904 _cell_length_b 5.95165904 _cell_length_c 5.95165904 _cell_angle_alpha 33.65571144 _cell_angle_beta 33.65571144 _cell_angle_gamma 33.65571144 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnB2Au _chemical_formula_sum 'Sn1 B2 Au1' _cell_volume 57.68492342 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.41391605 1 B B1 1 -0.00000000 -0.00000000 3.95812067 1 B B2 1 0.00000000 -0.00000000 12.86971144 1 Sn Sn3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
AuB2Sn
R-3m
166
trigonal
-3m
9,728.734983
false
[CIF] data_LiCr2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84639604 _cell_length_b 3.74388649 _cell_length_c 4.37336241 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCr2Cu _chemical_formula_sum 'Li1 Cr2 Cu1' _cell_volume 46.60510248 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.87194324 2.18668121 1 Cr Cr1 1 1.42319802 0.00000000 2.18668121 1 Cu Cu2 1 1.42319802 1.87194324 0.00000000 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cr2CuLi
Pmmm
47
orthorhombic
mmm
6,216.691145
false
[CIF] data_MgCrTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30564667 _cell_length_b 4.30564667 _cell_length_c 4.30564667 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCrTc2 _chemical_formula_sum 'Mg1 Cr1 Tc2' _cell_volume 56.44171049 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.04455196 3.04455196 3.04455196 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 4.56682794 4.56682794 4.56682794 1 Tc Tc3 1 1.52227598 1.52227598 1.52227598 1 [/CIF]
CrMgTc2
Fm-3m
225
cubic
m-3m
8,064.535456
false
[CIF] data_NaAgAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35572683 _cell_length_b 6.35572683 _cell_length_c 6.35572683 _cell_angle_alpha 146.75332832 _cell_angle_beta 139.41384126 _cell_angle_gamma 53.43413321 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaAgAs2 _chemical_formula_sum 'Na1 Ag1 As2' _cell_volume 91.01545881 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81823779 -0.00000000 3.07549242 1 As As1 1 -0.00000000 -0.00000000 10.54786781 1 As As2 1 0.00000000 2.20430820 3.03272264 1 Na Na3 1 -0.00000000 0.00000000 6.05261169 1 [/CIF]
AgAs2Na
Imm2
44
orthorhombic
mm2
5,121.275701
false
[CIF] data_Sr(CdGa)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46993255 _cell_length_b 6.46993255 _cell_length_c 6.46993255 _cell_angle_alpha 139.76771071 _cell_angle_beta 139.76771071 _cell_angle_gamma 58.20616707 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr(CdGa)2 _chemical_formula_sum 'Sr1 Cd2 Ga2' _cell_volume 111.96188207 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.22516700 2.82653900 1 Cd Cd1 1 2.22516700 -0.00000000 2.82653900 1 Ga Ga2 1 -0.00000000 0.00000000 4.43134000 1 Ga Ga3 1 0.00000000 -0.00000000 6.87481600 1 Sr Sr4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd2Ga2Sr
I4/mmm
139
tetragonal
4/mmm
6,702.081672
false
[CIF] data_MnNb2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23103174 _cell_length_b 3.23103174 _cell_length_c 5.97347838 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNb2Ge _chemical_formula_sum 'Mn1 Nb2 Ge1' _cell_volume 62.36052242 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61551587 1.61551587 3.08577653 1 Mn Mn1 1 0.00000000 0.00000000 4.42079400 1 Nb Nb2 1 1.61551587 1.61551587 5.83965962 1 Nb Nb3 1 0.00000000 0.00000000 1.58746574 1 [/CIF]
GeMnNb2
P4mm
99
tetragonal
4mm
8,344.985811
false
[CIF] data_Re2TeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05308451 _cell_length_b 4.80552507 _cell_length_c 4.83414710 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2TeAu _chemical_formula_sum 'Re2 Te1 Au1' _cell_volume 70.92503106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 1.52654226 2.40276254 0.00000000 1 Re Re1 1 1.52654226 0.00000000 2.41707355 1 Re Re2 1 0.00000000 2.40276254 2.41707355 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuRe2Te
Pmmm
47
orthorhombic
mmm
16,318.124168
false
[CIF] data_LaZrTi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39587307 _cell_length_b 5.39587307 _cell_length_c 5.71132170 _cell_angle_alpha 97.02495438 _cell_angle_beta 97.02495438 _cell_angle_gamma 33.55384075 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZrTi2 _chemical_formula_sum 'La1 Zr1 Ti2' _cell_volume 91.15763848 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.52513351 -0.00000000 1.38574117 1 Ti Ti1 1 9.45928751 -0.00000000 5.42447447 1 Ti Ti2 1 2.10554058 -0.00000000 4.29164963 1 Zr Zr3 1 4.91715771 -0.00000000 3.05946905 1 [/CIF]
LaTi2Zr
Cm
8
monoclinic
m
5,935.970165
false
[CIF] data_Sc2MnCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88369529 _cell_length_b 8.88369529 _cell_length_c 8.88369529 _cell_angle_alpha 20.04617516 _cell_angle_beta 20.04617516 _cell_angle_gamma 20.04617516 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2MnCo _chemical_formula_sum 'Sc2 Mn1 Co1' _cell_volume 72.06797225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.19395246 1 Mn Mn1 1 -0.00000000 -0.00000000 6.21777724 1 Sc Sc2 1 0.00000000 -0.00000000 25.82881921 1 Sc Sc3 1 0.00000000 -0.00000000 20.02778892 1 [/CIF]
CoMnSc2
R3m
160
trigonal
3m
4,695.424725
false
[CIF] data_InMoWAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62374944 _cell_length_b 4.62374944 _cell_length_c 4.62374944 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InMoWAu _chemical_formula_sum 'In1 Mo1 W1 Au1' _cell_volume 69.89850320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.90422687 4.90422687 4.90422687 1 In In1 1 1.63474229 1.63474229 1.63474229 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.26948458 3.26948458 3.26948458 1 [/CIF]
AuInMoW
F-43m
216
cubic
-43m
14,053.938825
false
[CIF] data_NbTe2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58695463 _cell_length_b 4.58695463 _cell_length_c 5.77930187 _cell_angle_alpha 102.33837780 _cell_angle_beta 102.33837780 _cell_angle_gamma 42.27486980 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbTe2Ru _chemical_formula_sum 'Nb1 Te2 Ru1' _cell_volume 79.62156586 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 3.61631961 0.00000000 2.81279526 1 Te Te2 1 1.13770892 0.00000000 4.20497208 1 Te Te3 1 6.09493031 0.00000000 1.42061845 1 [/CIF]
NbRuTe2
C2/m
12
monoclinic
2/m
9,367.75004
false
[CIF] data_Mg2VW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70938425 _cell_length_b 2.70938425 _cell_length_c 9.35958262 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2VW _chemical_formula_sum 'Mg2 V1 W1' _cell_volume 68.70647792 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 9.23613927 1 Mg Mg1 1 1.35469213 1.35469213 2.47921772 1 V V2 1 0.00000000 0.00000000 4.73050958 1 W W3 1 1.35469213 1.35469213 6.95308988 1 [/CIF]
Mg2VW
P4mm
99
tetragonal
4mm
6,849.174504
false
[CIF] data_LaBeAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24068080 _cell_length_b 4.96353335 _cell_length_c 5.25492277 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBeAg2 _chemical_formula_sum 'La1 Be1 Ag2' _cell_volume 84.52662682 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62034040 0.00000000 2.62746139 1 Ag Ag1 1 0.00000000 2.48176668 2.62746139 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 1.62034040 2.48176668 0.00000000 1 [/CIF]
Ag2BeLa
Pmmm
47
orthorhombic
mmm
7,144.041858
false
[CIF] data_Tb4(FeB2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94840470 _cell_length_b 7.94840470 _cell_length_c 7.94840470 _cell_angle_alpha 39.15495001 _cell_angle_beta 39.15495001 _cell_angle_gamma 39.15495001 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb4(FeB2)3 _chemical_formula_sum 'Tb4 Fe3 B6' _cell_volume 180.10062507 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.88558798 -1.53388337 10.99400224 1 B B1 1 -1.77117595 0.00000000 10.99400224 1 B B2 1 0.88558798 -1.53388337 10.99400224 1 B B3 1 -0.88558798 1.53388337 10.99400224 1 B B4 1 1.77117595 0.00000000 10.99400224 1 B B5 1 0.88558798 1.53388337 10.99400224 1 Fe Fe6 1 0.00000000 0.00000000 0.00000000 1 Fe Fe7 1 -0.00000000 0.00000000 19.48447718 1 Fe Fe8 1 -0.00000000 -0.00000000 2.50352729 1 Tb Tb9 1 0.00000000 0.00000000 5.62511730 1 Tb Tb10 1 -0.00000000 0.00000000 12.92988222 1 Tb Tb11 1 -0.00000000 0.00000000 9.05812225 1 Tb Tb12 1 -0.00000000 -0.00000000 16.36288717 1 [/CIF]
B6Fe3Tb4
R-3m
166
trigonal
-3m
8,003.958813
false
[CIF] data_YGe3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59796534 _cell_length_b 4.59796534 _cell_length_c 4.59796534 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YGe3F _chemical_formula_sum 'Y1 Ge3 F1' _cell_volume 97.20689690 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.29898267 2.29898267 2.29898267 1 Ge Ge1 1 0.00000000 2.29898267 0.00000000 1 Ge Ge2 1 0.00000000 0.00000000 2.29898267 1 Ge Ge3 1 2.29898267 0.00000000 0.00000000 1 F F4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FGe3Y
Pm-3m
221
cubic
m-3m
5,565.900348
false
[CIF] data_CuH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.74231828 _cell_length_b 2.74231828 _cell_length_c 2.74231828 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuH _chemical_formula_sum 'Cu1 H1' _cell_volume 14.58272133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.93911185 1.93911185 1.93911185 1 H H1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuH
Fm-3m
225
cubic
m-3m
7,350.77746
false
[CIF] data_La2RuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20921857 _cell_length_b 5.20921857 _cell_length_c 3.57306358 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La2RuSe _chemical_formula_sum 'La2 Ru1 Se1' _cell_volume 96.95850345 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.00000000 2.60460928 1.78653179 1 La La1 1 2.60460928 0.00000000 1.78653179 1 Ru Ru2 1 2.60460928 2.60460928 0.00000000 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La2RuSe
P4/mmm
123
tetragonal
4/mmm
7,841.153397
false
[CIF] data_InPdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70444408 _cell_length_b 4.70444408 _cell_length_c 4.70444408 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InPdPb _chemical_formula_sum 'In1 Pd1 Pb1' _cell_volume 73.62239371 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.98981647 4.98981647 4.98981647 1 Pb Pb1 1 1.66327216 1.66327216 1.66327216 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InPbPd
F-43m
216
cubic
-43m
9,663.337482
false
[CIF] data_ZrNiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50018947 _cell_length_b 4.50018947 _cell_length_c 4.50018947 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNiSn _chemical_formula_sum 'Zr1 Ni1 Sn1' _cell_volume 64.44324474 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 4.77317174 4.77317174 4.77317174 1 Zr Zr2 1 3.18211449 3.18211449 3.18211449 1 [/CIF]
NiSnZr
F-43m
216
cubic
-43m
6,921.847183
false
[CIF] data_NbAgHgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65565207 _cell_length_b 4.65565207 _cell_length_c 4.65565207 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbAgHgPd _chemical_formula_sum 'Nb1 Ag1 Hg1 Pd1' _cell_volume 71.35535198 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.93806473 4.93806473 4.93806473 1 Hg Hg1 1 1.64602158 1.64602158 1.64602158 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 3.29204315 3.29204315 3.29204315 1 [/CIF]
AgHgNbPd
F-43m
216
cubic
-43m
11,816.85899
false
[CIF] data_BaTi2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26722031 _cell_length_b 3.26722031 _cell_length_c 8.20053005 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTi2Ni _chemical_formula_sum 'Ba1 Ti2 Ni1' _cell_volume 87.53843228 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.10026502 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.63361016 1.63361016 1.22285099 1 Ti Ti3 1 1.63361016 1.63361016 6.97767906 1 [/CIF]
BaNiTi2
P4/mmm
123
tetragonal
4/mmm
5,534.364352
false
[CIF] data_K2HgPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27459223 _cell_length_b 5.27459223 _cell_length_c 4.60319397 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2HgPd _chemical_formula_sum 'K2 Hg1 Pd1' _cell_volume 128.06694692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.63729611 2.63729611 0.00000000 1 K K1 1 2.63729611 0.00000000 2.30159699 1 K K2 1 0.00000000 2.63729611 2.30159699 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgK2Pd
P4/mmm
123
tetragonal
4/mmm
4,995.07765
false
[CIF] data_NbCr2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01281974 _cell_length_b 5.01281974 _cell_length_c 5.01281974 _cell_angle_alpha 144.53981156 _cell_angle_beta 128.92202996 _cell_angle_gamma 63.71854113 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCr2Os _chemical_formula_sum 'Nb1 Cr2 Os1' _cell_volume 56.18621055 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.16115257 2.15275288 1 Cr Cr1 1 1.52657103 0.00000000 2.10487113 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 0.00000000 0.00000000 4.25762401 1 [/CIF]
Cr2NbOs
Immm
71
orthorhombic
mmm
11,441.327511
false
[CIF] data_CaScMnRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75313179 _cell_length_b 4.75313179 _cell_length_c 4.75313179 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaScMnRh _chemical_formula_sum 'Ca1 Sc1 Mn1 Rh1' _cell_volume 75.93195302 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 3.36097172 3.36097172 3.36097172 1 Rh Rh2 1 1.68048586 1.68048586 1.68048586 1 Sc Sc3 1 5.04145758 5.04145758 5.04145758 1 [/CIF]
CaMnRhSc
F-43m
216
cubic
-43m
5,311.433326
false
[CIF] data_KPdRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79274277 _cell_length_b 3.47209960 _cell_length_c 8.17024668 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KPdRu2 _chemical_formula_sum 'K1 Pd1 Ru2' _cell_volume 79.22427611 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.12536622 1 Pd Pd1 1 1.39637138 1.73604980 6.63344624 1 Ru Ru2 1 0.00000000 0.00000000 0.14387298 1 Ru Ru3 1 1.39637138 1.73604980 1.35268459 1 [/CIF]
KPdRu2
Pmm2
25
orthorhombic
mm2
7,286.929891
false
[CIF] data_MnV2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25659756 _cell_length_b 4.25659756 _cell_length_c 4.25659756 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnV2Ag _chemical_formula_sum 'Mn1 V2 Ag1' _cell_volume 54.53468107 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.00986900 3.00986900 3.00986900 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 V V2 1 4.51480350 4.51480350 4.51480350 1 V V3 1 1.50493450 1.50493450 1.50493450 1 [/CIF]
AgMnV2
Fm-3m
225
cubic
m-3m
8,059.583795
false
[CIF] data_TiMoW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27252387 _cell_length_b 4.27252387 _cell_length_c 4.27252387 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMoW _chemical_formula_sum 'Ti1 Mo1 W1' _cell_volume 55.14910831 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 1.51056530 1.51056530 1.51056530 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 4.53169590 4.53169590 4.53169590 1 [/CIF]
MoTiW
F-43m
216
cubic
-43m
9,866.049896
false
[CIF] data_LaTiCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58639747 _cell_length_b 4.58639747 _cell_length_c 4.58639747 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTiCr _chemical_formula_sum 'La1 Ti1 Cr1' _cell_volume 68.21817061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62153638 1.62153638 1.62153637 1 La La1 1 4.86460913 4.86460913 4.86460913 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CrLaTi
F-43m
216
cubic
-43m
5,812.007781
false
[CIF] data_Ba2GaFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58210166 _cell_length_b 3.58210166 _cell_length_c 9.41149627 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2GaFe _chemical_formula_sum 'Ba2 Ga1 Fe1' _cell_volume 120.76316548 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.51449127 1 Ba Ba1 1 1.79105083 1.79105083 3.09023911 1 Fe Fe2 1 0.00000000 0.00000000 5.71218324 1 Ga Ga3 1 1.79105083 1.79105083 6.21182706 1 [/CIF]
Ba2FeGa
P4mm
99
tetragonal
4mm
5,503.203428
false
[CIF] data_LiYb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53322688 _cell_length_b 4.53322688 _cell_length_c 4.53322688 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYb _chemical_formula_sum 'Li1 Yb1' _cell_volume 65.87298884 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Yb Yb1 1 3.20547547 3.20547547 3.20547547 1 [/CIF]
LiYb
Fm-3m
225
cubic
m-3m
4,537.348837
false
[CIF] data_Mg2TiV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69856263 _cell_length_b 4.69856263 _cell_length_c 4.69856263 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TiV _chemical_formula_sum 'Mg2 Ti1 V1' _cell_volume 73.34661300 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.66119275 1.66119275 1.66119275 1 Mg Mg1 1 4.98357825 4.98357825 4.98357825 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 3.32238550 3.32238550 3.32238550 1 [/CIF]
Mg2TiV
Fm-3m
225
cubic
m-3m
3,337.498057
false
[CIF] data_NaHfTlRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75792232 _cell_length_b 4.75792232 _cell_length_c 4.75792232 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfTlRh _chemical_formula_sum 'Na1 Hf1 Tl1 Rh1' _cell_volume 76.16177293 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68217957 1.68217957 1.68217957 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 3.36435914 3.36435914 3.36435914 1 Tl Tl3 1 5.04653871 5.04653871 5.04653871 1 [/CIF]
HfNaRhTl
F-43m
216
cubic
-43m
11,092.573776
false
[CIF] data_K2CoRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69935802 _cell_length_b 2.69935802 _cell_length_c 11.29805249 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CoRe _chemical_formula_sum 'K2 Co1 Re1' _cell_volume 82.32364044 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 1.34967901 1.34967901 2.77381684 1 K K2 1 1.34967901 1.34967901 8.52423565 1 Re Re3 1 0.00000000 0.00000000 5.64902624 1 [/CIF]
CoK2Re
P4/mmm
123
tetragonal
4/mmm
6,521.982955
false
[CIF] data_TaReB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75071187 _cell_length_b 5.75071187 _cell_length_c 5.75071187 _cell_angle_alpha 150.24472282 _cell_angle_beta 149.93510965 _cell_angle_gamma 42.80996525 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaReB2 _chemical_formula_sum 'Ta1 Re1 B2' _cell_volume 47.16487637 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 1.47652757 -0.00000000 0.35307773 1 B B1 1 0.00000000 -0.00000000 3.31101243 1 Re Re2 1 1.47652757 -0.00000000 4.86459159 1 Ta Ta3 1 -0.00000000 -0.00000000 7.53347209 1 [/CIF]
B2ReTa
Imm2
44
orthorhombic
mm2
13,687.711008
false
[CIF] data_In2GaB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07257013 _cell_length_b 5.07257013 _cell_length_c 5.69802209 _cell_angle_alpha 118.89493158 _cell_angle_beta 118.89493158 _cell_angle_gamma 41.31754156 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2GaB _chemical_formula_sum 'In2 Ga1 B1' _cell_volume 82.89402216 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.33047184 0.00000000 2.79476593 1 Ga Ga1 1 -0.29633549 0.00000000 3.22457832 1 In In2 1 6.53759565 0.00000000 4.70424675 1 In In3 1 6.80393515 0.00000000 1.47503085 1 [/CIF]
BGaIn2
Cm
8
monoclinic
m
6,213.347945
false
[CIF] data_Ni3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04249270 _cell_length_b 4.04249270 _cell_length_c 4.04249270 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni3Os _chemical_formula_sum 'Ni3 Os1' _cell_volume 46.71245954 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.28771100 4.28771100 4.28771100 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 1.42923700 1.42923700 1.42923700 1 Os Os3 1 2.85847400 2.85847400 2.85847400 1 [/CIF]
Ni3Os
Fm-3m
225
cubic
m-3m
13,021.630709
false
[CIF] data_BAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01364889 _cell_length_b 4.01364889 _cell_length_c 4.01364889 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BAu3 _chemical_formula_sum 'B1 Au3' _cell_volume 64.65738477 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.00682444 2.00682444 1 Au Au1 1 2.00682444 0.00000000 2.00682444 1 Au Au2 1 2.00682444 2.00682444 0.00000000 1 B B3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au3B
Pm-3m
221
cubic
m-3m
15,453.209859
false
[CIF] data_CdAuCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.55777712 _cell_length_b 6.55777712 _cell_length_c 6.55777712 _cell_angle_alpha 150.87807920 _cell_angle_beta 150.87807920 _cell_angle_gamma 41.65398610 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAuCl _chemical_formula_sum 'Cd1 Au1 Cl1' _cell_volume 66.64194508 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.92081317 1 Cd Cd1 1 0.00000000 -0.00000000 4.09604135 1 Cl Cl2 1 0.00000000 -0.00000000 8.50026808 1 [/CIF]
AuCdCl
I4mm
107
tetragonal
4mm
8,592.25568
false
[CIF] data_TaNb2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78330984 _cell_length_b 2.78330984 _cell_length_c 8.50077268 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb2Ni _chemical_formula_sum 'Ta1 Nb2 Ni1' _cell_volume 65.85390196 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 8.48276039 1 Nb Nb1 1 1.39165492 1.39165492 2.39512161 1 Ni Ni2 1 0.00000000 0.00000000 4.26451020 1 Ta Ta3 1 1.39165492 1.39165492 6.10953958 1 [/CIF]
Nb2NiTa
P4mm
99
tetragonal
4mm
10,728.036356
false
[CIF] data_CaTc2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55945280 _cell_length_b 4.55945280 _cell_length_c 4.55945280 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTc2W _chemical_formula_sum 'Ca1 Tc2 W1' _cell_volume 67.02289353 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 4.83602999 4.83602999 4.83602998 1 Tc Tc2 1 1.61201000 1.61201000 1.61200999 1 W W3 1 3.22401999 3.22401999 3.22401999 1 [/CIF]
CaTc2W
Fm-3m
225
cubic
m-3m
10,448.66564
false
[CIF] data_KTaPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88067733 _cell_length_b 2.88067733 _cell_length_c 9.90998908 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTaPt2 _chemical_formula_sum 'K1 Ta1 Pt2' _cell_volume 82.23608076 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.77024743 1 Pt Pt1 1 1.44033866 1.44033866 0.37257317 1 Pt Pt2 1 0.00000000 0.00000000 2.44024057 1 Ta Ta3 1 1.44033866 1.44033866 4.28192245 1 [/CIF]
KPt2Ta
P4mm
99
tetragonal
4mm
12,322.521297
false
[CIF] data_LiAs2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40404185 _cell_length_b 4.40404185 _cell_length_c 4.40404185 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiAs2Os _chemical_formula_sum 'Li1 As2 Os1' _cell_volume 60.40033054 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.11412786 3.11412786 3.11412786 1 As As1 1 1.55706393 1.55706393 1.55706393 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 4.67119179 4.67119179 4.67119179 1 [/CIF]
As2LiOs
F-43m
216
cubic
-43m
9,540.190105
false
[CIF] data_Al2SbRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82048823 _cell_length_b 4.21650828 _cell_length_c 4.34227270 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2SbRh _chemical_formula_sum 'Al2 Sb1 Rh1' _cell_volume 69.95019311 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.10825414 2.17113635 1 Al Al1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.91024412 0.00000000 2.17113635 1 Sb Sb3 1 1.91024412 2.10825414 0.00000000 1 [/CIF]
Al2RhSb
Pmmm
47
orthorhombic
mmm
6,614.329668
false
[CIF] data_SrRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26590646 _cell_length_b 6.26590646 _cell_length_c 4.61637461 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRh3 _chemical_formula_sum 'Sr2 Rh6' _cell_volume 156.96379504 _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 Rh Rh0 1 1.82450874 4.67100340 3.46228096 1 Rh Rh1 1 -1.82450874 4.67100340 3.46228096 1 Rh Rh2 1 0.00000000 1.51086156 3.46228096 1 Rh Rh3 1 1.30844449 0.75543078 1.15409365 1 Rh Rh4 1 4.95746197 0.75543078 1.15409365 1 Rh Rh5 1 3.13295323 3.91557262 1.15409365 1 Sr Sr6 1 3.13295323 1.80881139 3.46228096 1 Sr Sr7 1 0.00000000 3.61762278 1.15409365 1 [/CIF]
Rh6Sr2
P6_3/mmc
194
hexagonal
6/mmm
8,385.784013
false
[CIF] data_YRe2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79223105 _cell_length_b 4.79223105 _cell_length_c 5.44484218 _cell_angle_alpha 100.20503967 _cell_angle_beta 100.20503967 _cell_angle_gamma 36.05451580 _symmetry_Int_Tables_number 1 _chemical_formula_structural YRe2Rh _chemical_formula_sum 'Y1 Re2 Rh1' _cell_volume 72.30620986 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.04103988 -0.00000000 4.89937131 1 Re Re1 1 1.46241626 -0.00000000 4.20444306 1 Rh Rh2 1 4.14567716 -0.00000000 2.78751750 1 Y Y3 1 6.59957741 -0.00000000 1.48241928 1 [/CIF]
Re2RhY
Cm
8
monoclinic
m
12,957.645517
false
[CIF] data_Re2MoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91580319 _cell_length_b 4.04073607 _cell_length_c 5.01693462 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2MoP _chemical_formula_sum 'Re2 Mo1 P1' _cell_volume 59.10947916 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.50846731 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.45790160 2.02036803 1.22522775 1 Re Re3 1 1.45790160 2.02036803 3.79170687 1 [/CIF]
MoPRe2
Pmmm
47
orthorhombic
mmm
14,027.977889
false
[CIF] data_TlB2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72813429 _cell_length_b 4.72813429 _cell_length_c 4.72813429 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlB2Br _chemical_formula_sum 'Tl1 B2 Br1' _cell_volume 74.74022685 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.01494373 5.01494373 5.01494373 1 B B1 1 1.67164791 1.67164791 1.67164791 1 Br Br2 1 0.00000000 0.00000000 0.00000000 1 Tl Tl3 1 3.34329582 3.34329582 3.34329582 1 [/CIF]
B2BrTl
Fm-3m
225
cubic
m-3m
6,796.532
false
[CIF] data_Li2BePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48680541 _cell_length_b 4.48680541 _cell_length_c 4.48680541 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2BePb _chemical_formula_sum 'Li2 Be1 Pb1' _cell_volume 63.86996912 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.17265053 3.17265053 3.17265053 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Li Li2 1 4.75897580 4.75897580 4.75897579 1 Pb Pb3 1 1.58632526 1.58632526 1.58632526 1 [/CIF]
BeLi2Pb
F-43m
216
cubic
-43m
5,982.160058
false
[CIF] data_ScCrBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44069097 _cell_length_b 6.44069097 _cell_length_c 6.44069097 _cell_angle_alpha 144.73909773 _cell_angle_beta 144.73909773 _cell_angle_gamma 50.72349890 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCrBr2 _chemical_formula_sum 'Sc1 Cr1 Br2' _cell_volume 88.58800047 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95073357 0.00000000 2.90997325 1 Br Br1 1 0.00000000 -0.00000000 5.81994650 1 Cr Cr2 1 -0.00000000 1.95073357 2.90997325 1 Sc Sc3 1 -0.00000000 -0.00000000 0.00000000 1 [/CIF]
Br2CrSc
I-4m2
119
tetragonal
-42m
4,812.841789
false
[CIF] data_Mg2BW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43164231 _cell_length_b 4.43164231 _cell_length_c 4.43164231 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2BW _chemical_formula_sum 'Mg2 B1 W1' _cell_volume 61.54306234 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 4.70046650 4.70046650 4.70046649 1 Mg Mg2 1 1.56682217 1.56682216 1.56682217 1 W W3 1 3.13364433 3.13364433 3.13364433 1 [/CIF]
BMg2W
Fm-3m
225
cubic
m-3m
6,563.605686
false
[CIF] data_YSc2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88378535 _cell_length_b 4.88378535 _cell_length_c 4.88378535 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSc2Os _chemical_formula_sum 'Y1 Sc2 Os1' _cell_volume 82.36727652 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.45335774 3.45335774 3.45335774 1 Sc Sc1 1 5.18003661 5.18003661 5.18003661 1 Sc Sc2 1 1.72667887 1.72667887 1.72667887 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsSc2Y
Fm-3m
225
cubic
m-3m
7,440.807837
false
[CIF] data_Hf2ZrMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85068198 _cell_length_b 4.85068198 _cell_length_c 4.85068198 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ZrMo _chemical_formula_sum 'Hf2 Zr1 Mo1' _cell_volume 80.70369305 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.14492518 5.14492518 5.14492518 1 Hf Hf1 1 1.71497506 1.71497506 1.71497506 1 Mo Mo2 1 3.42995012 3.42995012 3.42995012 1 Zr Zr3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Hf2MoZr
Fm-3m
225
cubic
m-3m
11,196.582789
false
[CIF] data_CdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64977601 _cell_length_b 5.64977601 _cell_length_c 7.04982500 _cell_angle_alpha 103.90303286 _cell_angle_beta 103.90303286 _cell_angle_gamma 31.44590336 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAu2 _chemical_formula_sum 'Cd2 Au4' _cell_volume 113.68043793 _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 Au Au0 1 -1.70123934 0.00000000 6.81168384 1 Au Au1 1 3.75249368 0.00000000 1.88860899 1 Au Au2 1 6.67734853 -0.00000000 2.29328906 1 Au Au3 1 2.39542076 -0.00000000 4.57946516 1 Cd Cd4 1 -0.53228175 0.00000000 4.09894053 1 Cd Cd5 1 6.22877514 0.00000000 6.49686045 1 [/CIF]
Au4Cd2
Cm
8
monoclinic
m
14,792.417018
false
[CIF] data_Mn2VBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.06735104 _cell_length_b 8.06735104 _cell_length_c 8.06735104 _cell_angle_alpha 21.72820462 _cell_angle_beta 21.72820462 _cell_angle_gamma 21.72820462 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2VBi _chemical_formula_sum 'Mn2 V1 Bi1' _cell_volume 63.06346120 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 11.81095919 1 Mn Mn1 1 -0.00000000 -0.00000000 17.41454524 1 Mn Mn2 1 0.00000000 0.00000000 6.20737315 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiMn2V
R-3m
166
trigonal
-3m
9,737.239248
false
[CIF] data_Sr2LiSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99632937 _cell_length_b 3.99632937 _cell_length_c 7.80978849 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2LiSe _chemical_formula_sum 'Sr2 Li1 Se1' _cell_volume 124.72738631 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Se Se1 1 0.00000000 0.00000000 3.90489424 1 Sr Sr2 1 1.99816469 1.99816469 5.71600239 1 Sr Sr3 1 1.99816469 1.99816469 2.09378610 1 [/CIF]
LiSeSr2
P4/mmm
123
tetragonal
4/mmm
3,476.660942
false
[CIF] data_K2SbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.18946091 _cell_length_b 7.18946091 _cell_length_c 7.18946091 _cell_angle_alpha 38.96688539 _cell_angle_beta 38.96688539 _cell_angle_gamma 38.96688539 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2SbPd _chemical_formula_sum 'K2 Sb1 Pd1' _cell_volume 132.15920707 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.35640063 1 K K1 1 -0.00000000 -0.00000000 4.48772719 1 Pd Pd2 1 -0.00000000 0.00000000 9.03497245 1 Sb Sb3 1 0.00000000 0.00000000 15.70844212 1 [/CIF]
K2PdSb
R3m
160
trigonal
3m
3,865.651968
false
[CIF] data_VNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16683670 _cell_length_b 2.52278536 _cell_length_c 6.23551730 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.01507779 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VNi3 _chemical_formula_sum 'V2 Ni6' _cell_volume 91.15058100 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni Ni0 1 3.03353659 1.89208902 5.42040468 1 Ni Ni1 1 3.06759451 0.63069634 3.24480255 1 Ni Ni2 1 3.04125349 1.89208902 1.09978421 1 Ni Ni3 1 0.99136881 0.63069634 4.75912396 1 Ni Ni4 1 0.96502779 1.89208902 2.61410561 1 Ni Ni5 1 0.99908570 0.63069634 0.43850348 1 V V6 1 -1.06613026 1.89208902 4.12581676 1 V V7 1 5.09875256 0.63069634 1.73309140 1 [/CIF]
Ni6V2
P2_1/m
11
monoclinic
2/m
8,271.552363
false
[CIF] data_Co2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47027073 _cell_length_b 4.47027073 _cell_length_c 7.22608102 _cell_angle_alpha 113.41911134 _cell_angle_beta 113.41911134 _cell_angle_gamma 34.12306209 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2Rh _chemical_formula_sum 'Co4 Rh2' _cell_volume 73.67230564 _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 4.67446713 0.00000000 2.26238177 1 Co Co1 1 -1.50212558 0.00000000 3.28598242 1 Co Co2 1 0.86835191 -0.00000000 4.30958306 1 Co Co3 1 0.00000000 0.00000000 0.00000000 1 Rh Rh4 1 3.19790141 -0.00000000 5.41615492 1 Rh Rh5 1 2.34491763 -0.00000000 1.15580991 1 [/CIF]
Co4Rh2
C2/m
12
monoclinic
2/m
9,952.188817
false
[CIF] data_B3PdBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08283910 _cell_length_b 4.08283910 _cell_length_c 4.08283910 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B3PdBr _chemical_formula_sum 'B3 Pd1 Br1' _cell_volume 68.05919307 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.04141955 0.00000000 1 B B1 1 0.00000000 0.00000000 2.04141955 1 B B2 1 2.04141955 0.00000000 0.00000000 1 Br Br3 1 0.00000000 0.00000000 0.00000000 1 Pd Pd4 1 2.04141955 2.04141955 2.04141955 1 [/CIF]
B3BrPd
Pm-3m
221
cubic
m-3m
5,337.332522
false
[CIF] data_LaGa2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08485964 _cell_length_b 4.08485964 _cell_length_c 4.83438626 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGa2Ru _chemical_formula_sum 'La1 Ga2 Ru1' _cell_volume 80.66694756 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 0.00000000 2.04242982 2.41719313 1 Ga Ga1 1 2.04242982 0.00000000 2.41719313 1 La La2 1 2.04242982 2.04242982 0.00000000 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2LaRu
P4/mmm
123
tetragonal
4/mmm
7,810.437765
false
[CIF] data_CaAlTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69478028 _cell_length_b 5.69478028 _cell_length_c 5.69478028 _cell_angle_alpha 130.26209199 _cell_angle_beta 130.26209199 _cell_angle_gamma 72.98811402 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaAlTl2 _chemical_formula_sum 'Ca1 Al1 Tl2' _cell_volume 105.03315032 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 0.00000000 0.00000000 4.57813953 1 Tl Tl2 1 0.00000000 2.39490719 2.28906976 1 Tl Tl3 1 2.39490719 -0.00000000 2.28906977 1 [/CIF]
AlCaTl2
I4/mmm
139
tetragonal
4/mmm
7,522.652512
false
[CIF] data_GaHgPtPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99805638 _cell_length_b 4.99805638 _cell_length_c 4.99805638 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaHgPtPb _chemical_formula_sum 'Ga1 Hg1 Pt1 Pb1' _cell_volume 88.28531177 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 5.30123934 5.30123934 5.30123934 1 Pb Pb2 1 3.53415956 3.53415956 3.53415956 1 Pt Pt3 1 1.76707978 1.76707978 1.76707978 1 [/CIF]
GaHgPbPt
F-43m
216
cubic
-43m
12,650.729461
false
[CIF] data_KZnGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51114827 _cell_length_b 3.51114827 _cell_length_c 7.61110436 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZnGe2 _chemical_formula_sum 'K1 Zn1 Ge2' _cell_volume 93.83092887 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.06535777 1 Ge Ge1 1 1.75557414 1.75557414 1.31501571 1 K K2 1 0.00000000 0.00000000 3.78354840 1 Zn Zn3 1 1.75557414 1.75557414 6.25273466 1 [/CIF]
Ge2KZn
P4mm
99
tetragonal
4mm
4,420.007553
false
[CIF] data_ZrTiSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60288546 _cell_length_b 3.60288546 _cell_length_c 5.34312063 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiSi2 _chemical_formula_sum 'Zr1 Ti1 Si2' _cell_volume 69.35789285 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.25647888 1 Si Si1 1 1.80144273 1.80144273 1.45525298 1 Ti Ti2 1 0.00000000 0.00000000 2.55573781 1 Zr Zr3 1 1.80144273 1.80144273 4.09033185 1 [/CIF]
Si2TiZr
P4mm
99
tetragonal
4mm
4,674.885091
false
[CIF] data_Hf2CuB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33735311 _cell_length_b 5.33735311 _cell_length_c 5.33735311 _cell_angle_alpha 140.16189880 _cell_angle_beta 140.16189880 _cell_angle_gamma 57.60756076 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2CuB _chemical_formula_sum 'Hf2 Cu1 B1' _cell_volume 61.85894090 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 1.81839443 -0.00000000 2.33849426 1 Hf Hf2 1 0.00000000 -0.00000000 4.67698852 1 Hf Hf3 1 0.00000000 1.81839443 2.33849426 1 [/CIF]
BCuHf2
I-4m2
119
tetragonal
-42m
11,578.794092
false
[CIF] data_NbCdBiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86250708 _cell_length_b 4.86250708 _cell_length_c 4.86250708 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCdBiRh _chemical_formula_sum 'Nb1 Cd1 Bi1 Rh1' _cell_volume 81.29535695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.43831173 3.43831173 3.43831173 1 Cd Cd1 1 1.71915587 1.71915587 1.71915587 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 Rh Rh3 1 5.15746759 5.15746760 5.15746760 1 [/CIF]
BiCdNbRh
F-43m
216
cubic
-43m
10,564.394869
false
[CIF] data_SrLaMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24667505 _cell_length_b 5.24667505 _cell_length_c 5.24667505 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLaMo2 _chemical_formula_sum 'Sr1 La1 Mo2' _cell_volume 102.12627819 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.70995951 3.70995951 3.70995951 1 Mo Mo1 1 1.85497976 1.85497976 1.85497976 1 Mo Mo2 1 5.56493927 5.56493927 5.56493926 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LaMo2Sr
Fm-3m
225
cubic
m-3m
6,803.783145
false