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_LiBe2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93525871 _cell_length_b 3.93525871 _cell_length_c 3.93525871 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBe2Pd _chemical_formula_sum 'Li1 Be2 Pd1' _cell_volume 43.09281530 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.17397218 4.17397218 4.17397218 1 Be Be1 1 1.39132406 1.39132406 1.39132406 1 Li Li2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 2.78264812 2.78264812 2.78264812 1 [/CIF]
Be2LiPd
Fm-3m
225
cubic
m-3m
5,063.351763
false
[CIF] data_TaNbIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25338112 _cell_length_b 5.25338112 _cell_length_c 5.25338112 _cell_angle_alpha 143.46909479 _cell_angle_beta 143.46909479 _cell_angle_gamma 52.62192547 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNbIr _chemical_formula_sum 'Ta1 Nb1 Ir1' _cell_volume 51.06608588 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.01173131 1 Nb Nb1 1 -0.00000000 0.00000000 3.16371327 1 Ta Ta2 1 0.00000000 0.00000000 6.24283429 1 [/CIF]
IrNbTa
I4mm
107
tetragonal
4mm
15,155.450465
false
[CIF] data_AgTeMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51150203 _cell_length_b 4.51150203 _cell_length_c 4.51150203 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AgTeMo _chemical_formula_sum 'Ag1 Te1 Mo1' _cell_volume 64.93045916 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.19011368 3.19011368 3.19011368 1 Mo Mo1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.59505684 1.59505684 1.59505684 1 [/CIF]
AgMoTe
F-43m
216
cubic
-43m
8,475.98309
false
[CIF] data_GaP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87779449 _cell_length_b 3.87779449 _cell_length_c 6.38718900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaP _chemical_formula_sum 'Ga2 P2' _cell_volume 83.17828793 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ga Ga0 1 -0.00000000 2.23884569 3.19287913 1 Ga Ga1 1 1.93889724 1.11942285 6.38647363 1 P P2 1 -0.00000000 2.23884569 0.80294630 1 P P3 1 1.93889724 1.11942285 3.99654080 1 [/CIF]
Ga2P2
P6_3mc
186
hexagonal
6mm
4,020.351755
false
[CIF] data_HfMg2Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40947274 _cell_length_b 4.59419832 _cell_length_c 5.18888809 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMg2Nb _chemical_formula_sum 'Hf1 Mg2 Nb1' _cell_volume 81.27767379 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 2.29709916 2.59444404 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Mg Mg2 1 1.70473637 2.29709916 0.00000000 1 Nb Nb3 1 1.70473637 0.00000000 2.59444404 1 [/CIF]
HfMg2Nb
Pmmm
47
orthorhombic
mmm
6,537.872835
false
[CIF] data_Cu2AgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20048703 _cell_length_b 3.20048703 _cell_length_c 7.08587594 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 95.60275180 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2AgBi _chemical_formula_sum 'Cu2 Ag1 Bi1' _cell_volume 72.23471556 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.00000000 0.00000000 1 Bi Bi1 1 0.00000000 0.00000000 3.54293797 1 Cu Cu2 1 2.14977610 0.00000000 5.58889926 1 Cu Cu3 1 2.14977610 0.00000000 1.49697668 1 [/CIF]
AgBiCu2
Cmmm
65
orthorhombic
mmm
10,205.352148
false
[CIF] data_CdAu2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83956544 _cell_length_b 5.83956544 _cell_length_c 3.13965203 _cell_angle_alpha 103.48613608 _cell_angle_beta 103.48613608 _cell_angle_gamma 120.82778435 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdAu2Se _chemical_formula_sum 'Cd1 Au2 Se1' _cell_volume 81.03457832 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44158733 2.53908588 0.00000000 1 Au Au1 1 1.44158733 -2.53908588 0.00000000 1 Cd Cd2 1 2.88317467 -0.00000000 0.00000000 1 Se Se3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Au2CdSe
C2/m
12
monoclinic
2/m
11,993.897015
false
[CIF] data_SiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01438238 _cell_length_b 4.01438238 _cell_length_c 4.01438238 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiAg _chemical_formula_sum 'Si1 Ag1' _cell_volume 45.74474532 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.41929850 1.41929850 1.41929850 1 Si Si1 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgSi
F-43m
216
cubic
-43m
4,935.13361
false
[CIF] data_HfZr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51342442 _cell_length_b 5.51342442 _cell_length_c 8.98720658 _cell_angle_alpha 114.01103906 _cell_angle_beta 114.01103906 _cell_angle_gamma 33.56884652 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr _chemical_formula_sum 'Hf3 Zr3' _cell_volume 136.73556104 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -3.80651565 -0.00000000 8.11835490 1 Hf Hf1 1 3.83734516 0.00000000 6.77172116 1 Hf Hf2 1 -1.90571567 -0.00000000 4.09202185 1 Zr Zr3 1 0.97595710 -0.00000000 5.44804656 1 Zr Zr4 1 5.74526663 0.00000000 2.70193972 1 Zr Zr5 1 2.89875248 -0.00000000 1.34068944 1 [/CIF]
Hf3Zr3
Cm
8
monoclinic
m
9,826.35308
false
[CIF] data_LiMnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47491190 _cell_length_b 3.68496755 _cell_length_c 4.13375445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMnP2 _chemical_formula_sum 'Li1 Mn1 P2' _cell_volume 52.93246775 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mn Mn1 1 0.00000000 1.84248378 2.06687722 1 P P2 1 1.73745595 1.84248378 0.00000000 1 P P3 1 1.73745595 0.00000000 2.06687722 1 [/CIF]
LiMnP2
Pmmm
47
orthorhombic
mmm
3,884.550713
false
[CIF] data_SnBi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90824796 _cell_length_b 4.90824796 _cell_length_c 4.94855371 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnBi2Sb _chemical_formula_sum 'Sn1 Bi2 Sb1' _cell_volume 119.21510286 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.45412398 2.47427685 1 Bi Bi1 1 2.45412398 0.00000000 2.47427685 1 Sb Sb2 1 2.45412398 2.45412398 0.00000000 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2SbSn
P4/mmm
123
tetragonal
4/mmm
9,171.23787
false
[CIF] data_TiGa2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97282158 _cell_length_b 4.97282158 _cell_length_c 4.97282158 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGa2Bi _chemical_formula_sum 'Ti1 Ga2 Bi1' _cell_volume 86.95481475 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 5.27447379 5.27447379 5.27447379 1 Ga Ga1 1 1.75815793 1.75815793 1.75815793 1 Ga Ga2 1 3.51631586 3.51631586 3.51631586 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiGa2Ti
F-43m
216
cubic
-43m
7,567.846294
false
[CIF] data_FeHg2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06745529 _cell_length_b 3.06745529 _cell_length_c 9.84445759 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeHg2Te _chemical_formula_sum 'Fe1 Hg2 Te1' _cell_volume 92.62927705 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 1.53372764 1.53372764 1.67998209 1 Hg Hg2 1 1.53372764 1.53372764 8.16447550 1 Te Te3 1 0.00000000 0.00000000 4.92222880 1 [/CIF]
FeHg2Te
P4/mmm
123
tetragonal
4/mmm
10,480.40887
false
[CIF] data_KTaTiAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93408099 _cell_length_b 4.93408099 _cell_length_c 4.93408099 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTaTiAl _chemical_formula_sum 'K1 Ta1 Ti1 Al1' _cell_volume 84.93835094 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 K K1 1 5.23338320 5.23338320 5.23338320 1 Ta Ta2 1 3.48892213 3.48892213 3.48892213 1 Ti Ti3 1 1.74446107 1.74446107 1.74446107 1 [/CIF]
AlKTaTi
F-43m
216
cubic
-43m
5,765.171979
false
[CIF] data_TcMoPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70410582 _cell_length_b 2.70410582 _cell_length_c 8.23953307 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcMoPd2 _chemical_formula_sum 'Tc1 Mo1 Pd2' _cell_volume 60.24901719 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 1.35205291 1.35205291 2.07446806 1 Pd Pd2 1 1.35205291 1.35205291 6.16506501 1 Tc Tc3 1 0.00000000 0.00000000 4.11976654 1 [/CIF]
MoPd2Tc
P4/mmm
123
tetragonal
4/mmm
11,236.898199
false
[CIF] data_Zn2CuRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74910938 _cell_length_b 4.74910938 _cell_length_c 4.74144811 _cell_angle_alpha 104.72326549 _cell_angle_beta 104.72326549 _cell_angle_gamma 32.44862327 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2CuRe _chemical_formula_sum 'Zn2 Cu1 Re1' _cell_volume 55.33080868 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 3.93246547 0.00000000 2.28616746 1 Zn Zn2 1 6.42629236 -0.00000000 1.14153814 1 Zn Zn3 1 1.43863857 0.00000000 3.43079678 1 [/CIF]
CuReZn2
C2/m
12
monoclinic
2/m
11,419.618056
false
[CIF] data_NaSb2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49032391 _cell_length_b 6.49032391 _cell_length_c 6.49032391 _cell_angle_alpha 139.95217670 _cell_angle_beta 139.95217670 _cell_angle_gamma 57.92591863 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSb2Te _chemical_formula_sum 'Na1 Sb2 Te1' _cell_volume 112.18441903 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 2.22236662 0.00000000 2.83929911 1 Sb Sb2 1 -0.00000000 2.22236662 2.83929911 1 Te Te3 1 0.00000000 -0.00000000 5.67859821 1 [/CIF]
NaSb2Te
I4/mmm
139
tetragonal
4/mmm
5,833.56115
false
[CIF] data_LiTe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54100741 _cell_length_b 3.54100741 _cell_length_c 7.39826769 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTe2W _chemical_formula_sum 'Li1 Te2 W1' _cell_volume 92.76490676 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.44341239 1 Te Te1 1 1.77050371 1.77050371 6.54213268 1 Te Te2 1 0.00000000 0.00000000 2.61749512 1 W W3 1 1.77050371 1.77050371 3.89262903 1 [/CIF]
LiTe2W
P4mm
99
tetragonal
4mm
7,983.286992
false
[CIF] data_HfTl2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21448234 _cell_length_b 5.28649269 _cell_length_c 5.51511638 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTl2Ge _chemical_formula_sum 'Hf1 Tl2 Ge1' _cell_volume 93.72023340 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.00000000 1 Hf Hf1 1 1.60724117 2.64324635 0.00000000 1 Tl Tl2 1 1.60724117 0.00000000 2.75755819 1 Tl Tl3 1 0.00000000 2.64324635 2.75755819 1 [/CIF]
GeHfTl2
Pmmm
47
orthorhombic
mmm
11,692.07592
false
[CIF] data_Zr2CuP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36778428 _cell_length_b 4.36778428 _cell_length_c 3.59127986 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2CuP _chemical_formula_sum 'Zr2 Cu1 P1' _cell_volume 68.51278344 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.18389214 2.18389214 0.00000000 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 0.00000000 2.18389214 1.79563993 1 Zr Zr3 1 2.18389214 0.00000000 1.79563993 1 [/CIF]
CuPZr2
P4/mmm
123
tetragonal
4/mmm
6,712.84636
false
[CIF] data_VTc2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46401744 _cell_length_b 4.46401744 _cell_length_c 4.46401744 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VTc2Sn _chemical_formula_sum 'V1 Tc2 Sn1' _cell_volume 62.90173850 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sn Sn0 1 4.73480550 4.73480550 4.73480550 1 Tc Tc1 1 1.57826850 1.57826850 1.57826850 1 Tc Tc2 1 3.15653700 3.15653700 3.15653700 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
SnTc2V
F-43m
216
cubic
-43m
9,700.65655
false
[CIF] data_CoTe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83913888 _cell_length_b 5.83913888 _cell_length_c 5.83913888 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoTe3 _chemical_formula_sum 'Co2 Te6' _cell_volume 199.08860995 _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 2.91956944 2.91956944 2.91956944 1 Co Co1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 1.45978472 0.00000000 2.91956944 1 Te Te3 1 4.37935416 0.00000000 2.91956944 1 Te Te4 1 2.91956944 1.45978472 0.00000000 1 Te Te5 1 2.91956944 4.37935416 0.00000000 1 Te Te6 1 0.00000000 2.91956944 4.37935416 1 Te Te7 1 0.00000000 2.91956944 1.45978472 1 [/CIF]
Co2Te6
Pm-3n
223
cubic
m-3m
7,368.731215
false
[CIF] data_CoTcMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34640421 _cell_length_b 4.34640421 _cell_length_c 4.34640421 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoTcMo2 _chemical_formula_sum 'Co1 Tc1 Mo2' _cell_volume 58.05977386 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mo Mo1 1 3.07337189 3.07337189 3.07337189 1 Mo Mo2 1 4.61005784 4.61005784 4.61005784 1 Tc Tc3 1 1.53668595 1.53668595 1.53668595 1 [/CIF]
CoMo2Tc
F-43m
216
cubic
-43m
10,003.296614
false
[CIF] data_Li2GaTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16619811 _cell_length_b 5.16619811 _cell_length_c 5.16619811 _cell_angle_alpha 128.65764701 _cell_angle_beta 128.65764701 _cell_angle_gamma 75.56206135 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2GaTe _chemical_formula_sum 'Li2 Ga1 Te1' _cell_volume 81.80603349 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Li Li1 1 2.23802662 -0.00000000 2.04157272 1 Li Li2 1 0.00000000 2.23802662 2.04157271 1 Te Te3 1 0.00000000 -0.00000000 4.08314543 1 [/CIF]
GaLi2Te
I4/mmm
139
tetragonal
4/mmm
4,287.142874
false
[CIF] data_MgInSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34505161 _cell_length_b 3.34505161 _cell_length_c 9.24965043 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgInSn2 _chemical_formula_sum 'Mg1 In1 Sn2' _cell_volume 103.49776356 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.67252581 1.67252581 4.76120854 1 Mg Mg1 1 0.00000000 0.00000000 6.93510402 1 Sn Sn2 1 1.67252581 1.67252581 9.09777690 1 Sn Sn3 1 0.00000000 0.00000000 2.33003661 1 [/CIF]
InMgSn2
P4mm
99
tetragonal
4mm
6,041.332105
false
[CIF] data_NaLaVFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72357700 _cell_length_b 4.72357700 _cell_length_c 4.72357700 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaVFe _chemical_formula_sum 'Na1 La1 V1 Fe1' _cell_volume 74.52431635 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.01011000 5.01011000 5.01011000 1 La La1 1 1.67003667 1.67003667 1.67003666 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 3.34007333 3.34007333 3.34007333 1 [/CIF]
FeLaNaV
F-43m
216
cubic
-43m
5,986.724151
false
[CIF] data_MnPt3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54067960 _cell_length_b 4.54067960 _cell_length_c 4.54067960 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnPt3F _chemical_formula_sum 'Mn1 Pt3 F1' _cell_volume 93.61869322 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 2.27033980 2.27033980 2.27033980 1 Pt Pt1 1 2.27033980 0.00000000 2.27033980 1 Pt Pt2 1 2.27033980 2.27033980 0.00000000 1 Pt Pt3 1 0.00000000 2.27033980 2.27033980 1 F F4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FMnPt3
Pm-3m
221
cubic
m-3m
11,692.196642
false
[CIF] data_CdGaTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.56308262 _cell_length_b 9.56308262 _cell_length_c 9.56308262 _cell_angle_alpha 21.45922868 _cell_angle_beta 21.45922868 _cell_angle_gamma 21.45922868 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdGaTe2 _chemical_formula_sum 'Cd1 Ga1 Te2' _cell_volume 102.55337215 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 -0.00000000 -0.00000000 14.00923779 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Te Te2 1 0.00000000 0.00000000 20.66626340 1 Te Te3 1 -0.00000000 0.00000000 7.35221218 1 [/CIF]
CdGaTe2
R-3m
166
trigonal
-3m
7,081.290225
false
[CIF] data_GaPCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49101116 _cell_length_b 14.81265577 _cell_length_c 3.94587535 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaPCl _chemical_formula_sum 'Ga4 P4 Cl4' _cell_volume 320.94352524 _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 Cl Cl0 1 1.44689429 8.53224007 0.00000000 1 Cl Cl1 1 4.04411687 6.28041570 0.00000000 1 Cl Cl2 1 1.29861129 1.12591219 1.97293768 1 Cl Cl3 1 4.19239987 13.68674358 1.97293768 1 Ga Ga4 1 5.40871600 10.12292600 0.00000000 1 Ga Ga5 1 0.08229516 4.68972977 0.00000000 1 Ga Ga6 1 2.82780074 2.71659811 1.97293768 1 Ga Ga7 1 2.66321042 12.09605766 1.97293768 1 P P8 1 1.35746356 12.04896260 0.00000000 1 P P9 1 4.13354760 2.76369317 0.00000000 1 P P10 1 1.38804202 4.64263471 1.97293768 1 P P11 1 4.10296914 10.17002106 1.97293768 1 [/CIF]
Cl4Ga4P4
Pnnm
58
orthorhombic
mmm
2,817.716899
false
[CIF] data_TiAgPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07795702 _cell_length_b 4.07795702 _cell_length_c 3.84293866 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAgPt2 _chemical_formula_sum 'Ti1 Ag1 Pt2' _cell_volume 63.90704561 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.03897851 2.03897851 0.00000000 1 Pt Pt1 1 2.03897851 0.00000000 1.92146933 1 Pt Pt2 1 0.00000000 2.03897851 1.92146933 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AgPt2Ti
P4/mmm
123
tetragonal
4/mmm
14,184.564183
false
[CIF] data_K2TiTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36361049 _cell_length_b 3.36361049 _cell_length_c 10.71152622 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2TiTc _chemical_formula_sum 'K2 Ti1 Tc1' _cell_volume 121.18887471 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.68180525 1.68180525 10.07069320 1 K K1 1 0.00000000 0.00000000 3.50578495 1 Tc Tc2 1 1.68180525 1.68180525 6.14196375 1 Ti Ti3 1 0.00000000 0.00000000 7.06037354 1 [/CIF]
K2TcTi
P4mm
99
tetragonal
4mm
3,082.745161
false
[CIF] data_ScCrHgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69051359 _cell_length_b 4.69051359 _cell_length_c 4.69051359 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCrHgW _chemical_formula_sum 'Sc1 Cr1 Hg1 W1' _cell_volume 72.97031134 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.97504095 4.97504096 4.97504096 1 Hg Hg1 1 3.31669397 3.31669397 3.31669397 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.65834699 1.65834698 1.65834699 1 [/CIF]
CrHgScW
F-43m
216
cubic
-43m
10,954.504952
false
[CIF] data_BaMnVRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60242411 _cell_length_b 4.60242411 _cell_length_c 4.60242411 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMnVRu _chemical_formula_sum 'Ba1 Mn1 V1 Ru1' _cell_volume 68.93581449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.62720265 1.62720265 1.62720265 1 Mn Mn1 1 4.88160795 4.88160795 4.88160795 1 Ru Ru2 1 3.25440530 3.25440530 3.25440530 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BaMnRuV
F-43m
216
cubic
-43m
8,292.999175
false
[CIF] data_TaPdRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75593240 _cell_length_b 4.75593240 _cell_length_c 4.81001874 _cell_angle_alpha 101.23773669 _cell_angle_beta 101.23773669 _cell_angle_gamma 35.10153438 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaPdRu2 _chemical_formula_sum 'Ta1 Pd1 Ru2' _cell_volume 61.24063730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 6.60871980 0.00000000 1.17745128 1 Ru Ru2 1 1.47722542 0.00000000 3.53102077 1 Ta Ta3 1 4.04297261 -0.00000000 2.35423603 1 [/CIF]
PdRu2Ta
C2/m
12
monoclinic
2/m
13,272.999661
false
[CIF] data_YV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72926162 _cell_length_b 5.72926162 _cell_length_c 5.72926162 _cell_angle_alpha 146.49467814 _cell_angle_beta 146.49467814 _cell_angle_gamma 48.11258091 _symmetry_Int_Tables_number 1 _chemical_formula_structural YV2 _chemical_formula_sum 'Y1 V2' _cell_volume 57.06983591 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy V V0 1 0.00000000 0.00000000 3.08023107 1 V V1 1 -0.00000000 0.00000000 7.38306691 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
V2Y
I4/mmm
139
tetragonal
4/mmm
5,551.309792
false
[CIF] data_YAlAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07955869 _cell_length_b 6.07955869 _cell_length_c 4.00834850 _cell_angle_alpha 92.98391090 _cell_angle_beta 92.98391090 _cell_angle_gamma 36.65068341 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAlAs2 _chemical_formula_sum 'Y1 Al1 As2' _cell_volume 88.30443858 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 2.53551231 -0.00000000 3.35955405 1 As As1 1 0.10792093 0.00000000 3.59554105 1 As As2 1 8.73945263 -0.00000000 1.49375284 1 Y Y3 1 5.38133391 -0.00000000 1.55694535 1 [/CIF]
AlAs2Y
Cm
8
monoclinic
m
4,996.985776
false
[CIF] data_YNbCuMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69262209 _cell_length_b 4.69262209 _cell_length_c 4.69262209 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNbCuMo _chemical_formula_sum 'Y1 Nb1 Cu1 Mo1' _cell_volume 73.06876107 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 0.00000000 0.00000000 0.00000000 1 Mo Mo1 1 3.31818490 3.31818490 3.31818490 1 Nb Nb2 1 1.65909245 1.65909245 1.65909245 1 Y Y3 1 4.97727735 4.97727735 4.97727735 1 [/CIF]
CuMoNbY
F-43m
216
cubic
-43m
7,756.697209
false
[CIF] data_LiNbRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80219670 _cell_length_b 4.80219670 _cell_length_c 4.80219670 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNbRe3 _chemical_formula_sum 'Li1 Nb1 Re3' _cell_volume 110.74390540 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 2.40109835 0.00000000 2.40109835 1 Re Re1 1 2.40109835 2.40109835 0.00000000 1 Re Re2 1 0.00000000 2.40109835 2.40109835 1 Nb Nb3 1 2.40109835 2.40109835 2.40109835 1 Li Li4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
LiNbRe3
Pm-3m
221
cubic
m-3m
9,873.34215
false
[CIF] data_HfCd2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45927040 _cell_length_b 5.45927040 _cell_length_c 2.89376197 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.14394094 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCd2Os _chemical_formula_sum 'Hf1 Cd2 Os1' _cell_volume 75.32596449 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.38243917 -2.35367165 1.44688098 1 Cd Cd1 1 1.38243917 2.35367166 1.44688098 1 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1 Os Os3 1 2.76487835 0.00000000 0.00000000 1 [/CIF]
Cd2HfOs
Cmmm
65
orthorhombic
mmm
13,084.461451
false
[CIF] data_MnFeSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68831286 _cell_length_b 3.68831286 _cell_length_c 5.40816096 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnFeSb2 _chemical_formula_sum 'Mn1 Fe1 Sb2' _cell_volume 73.57073813 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 1.84415643 1.84415643 2.47251498 1 Mn Mn1 1 0.00000000 0.00000000 4.29810877 1 Sb Sb2 1 1.84415643 1.84415643 5.06826859 1 Sb Sb3 1 0.00000000 0.00000000 1.68151011 1 [/CIF]
FeMnSb2
P4mm
99
tetragonal
4mm
7,997.04264
false
[CIF] data_BeNbCrIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21575923 _cell_length_b 4.21575923 _cell_length_c 4.21575923 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeNbCrIr _chemical_formula_sum 'Be1 Nb1 Cr1 Ir1' _cell_volume 52.98005454 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cr Cr1 1 2.98099194 2.98099194 2.98099194 1 Ir Ir2 1 1.49049597 1.49049597 1.49049597 1 Nb Nb3 1 4.47148791 4.47148791 4.47148791 1 [/CIF]
BeCrIrNb
F-43m
216
cubic
-43m
10,848.708102
false
[CIF] data_In2NiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19095035 _cell_length_b 5.19095035 _cell_length_c 5.19095035 _cell_angle_alpha 129.72106266 _cell_angle_beta 129.72106266 _cell_angle_gamma 73.85308713 _symmetry_Int_Tables_number 1 _chemical_formula_structural In2NiHg _chemical_formula_sum 'In2 Ni1 Hg1' _cell_volume 80.72063245 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.14967901 1 In In1 1 0.00000000 2.20523578 2.07483950 1 In In2 1 2.20523578 0.00000000 2.07483950 1 Ni Ni3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgIn2Ni
I4/mmm
139
tetragonal
4/mmm
10,057.772585
false
[CIF] data_ZnCuIrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39183646 _cell_length_b 4.39183646 _cell_length_c 4.39183646 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCuIrAu _chemical_formula_sum 'Zn1 Cu1 Ir1 Au1' _cell_volume 59.89953906 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.10549734 3.10549734 3.10549734 1 Cu Cu1 1 0.00000000 0.00000000 0.00000000 1 Ir Ir2 1 4.65824601 4.65824601 4.65824601 1 Zn Zn3 1 1.55274867 1.55274867 1.55274867 1 [/CIF]
AuCuIrZn
F-43m
216
cubic
-43m
14,363.068457
false
[CIF] data_BeTc2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16319965 _cell_length_b 4.16319965 _cell_length_c 2.99568857 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeTc2Ge _chemical_formula_sum 'Be1 Tc2 Ge1' _cell_volume 51.92196728 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ge Ge1 1 2.08159983 2.08159983 0.00000000 1 Tc Tc2 1 2.08159983 0.00000000 1.49784428 1 Tc Tc3 1 0.00000000 2.08159983 1.49784428 1 [/CIF]
BeGeTc2
P4/mmm
123
tetragonal
4/mmm
8,937.678607
false
[CIF] data_InHgOsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66276767 _cell_length_b 4.66276767 _cell_length_c 4.66276767 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InHgOsPd _chemical_formula_sum 'In1 Hg1 Os1 Pd1' _cell_volume 71.68302637 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.94561196 4.94561196 4.94561196 1 In In1 1 3.29707464 3.29707464 3.29707464 1 Os Os2 1 1.64853732 1.64853732 1.64853732 1 Pd Pd3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgInOsPd
F-43m
216
cubic
-43m
14,178.338604
false
[CIF] data_ZrVHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57009956 _cell_length_b 4.57009956 _cell_length_c 4.57009956 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrVHg _chemical_formula_sum 'Zr1 V1 Hg1' _cell_volume 67.49350566 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.61577420 1.61577420 1.61577420 1 V V1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 4.84732259 4.84732259 4.84732259 1 [/CIF]
HgVZr
F-43m
216
cubic
-43m
8,432.795015
false
[CIF] data_Co2OsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19817662 _cell_length_b 4.19817662 _cell_length_c 4.19817662 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2OsW _chemical_formula_sum 'Co2 Os1 W1' _cell_volume 52.31992596 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Co Co0 1 1.48427958 1.48427958 1.48427958 1 Co Co1 1 4.45283874 4.45283874 4.45283874 1 Os Os2 1 2.96855916 2.96855916 2.96855916 1 W W3 1 -0.00000000 -0.00000000 -0.00000000 1 [/CIF]
Co2OsW
Fm-3m
225
cubic
m-3m
15,613.164181
false
[CIF] data_KLi4P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54114604 _cell_length_b 5.54114604 _cell_length_c 5.54114604 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLi4P _chemical_formula_sum 'K1 Li4 P1' _cell_volume 120.30503151 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.95909097 1.95909097 1.95909097 1 Li Li1 1 2.93279536 2.93279536 4.90356852 1 Li Li2 1 2.93279536 4.90356852 2.93279536 1 Li Li3 1 4.90356852 2.93279536 2.93279536 1 Li Li4 1 4.90356852 4.90356852 4.90356852 1 P P5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
KLi4P
F-43m
216
cubic
-43m
1,350.405723
false
[CIF] data_NaSiSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12062913 _cell_length_b 5.12062913 _cell_length_c 5.12062913 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSiSn2 _chemical_formula_sum 'Na1 Si1 Sn2' _cell_volume 94.94125516 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Si Si1 1 3.62083158 3.62083158 3.62083158 1 Sn Sn2 1 5.43124737 5.43124737 5.43124737 1 Sn Sn3 1 1.81041579 1.81041579 1.81041579 1 [/CIF]
NaSiSn2
Fm-3m
225
cubic
m-3m
5,045.83244
false
[CIF] data_TiAsPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93940536 _cell_length_b 3.77321634 _cell_length_c 5.71977361 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAsPd2 _chemical_formula_sum 'Ti1 As1 Pd2' _cell_volume 63.43807966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.46970268 1.88660817 4.24155395 1 Pd Pd1 1 0.00000000 0.00000000 0.00235632 1 Pd Pd2 1 1.46970268 1.88660817 1.49924098 1 Ti Ti3 1 0.00000000 0.00000000 2.83650918 1 [/CIF]
AsPd2Ti
Pmm2
25
orthorhombic
mm2
8,785.32902
false
[CIF] data_Ta3Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17029581 _cell_length_b 4.17029581 _cell_length_c 4.17029581 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Mo _chemical_formula_sum 'Ta3 Mo1' _cell_volume 72.52714553 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 0.00000000 0.00000000 0.00000000 1 Ta Ta1 1 2.08514790 2.08514790 0.00000000 1 Ta Ta2 1 2.08514790 0.00000000 2.08514790 1 Ta Ta3 1 0.00000000 2.08514790 2.08514790 1 [/CIF]
MoTa3
Pm-3m
221
cubic
m-3m
14,625.674186
false
[CIF] data_MgGaCoBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77861841 _cell_length_b 4.77861841 _cell_length_c 4.77861841 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgGaCoBi _chemical_formula_sum 'Mg1 Ga1 Co1 Bi1' _cell_volume 77.15997122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.37899348 3.37899348 3.37899348 1 Co Co1 1 1.68949674 1.68949674 1.68949674 1 Ga Ga2 1 5.06849022 5.06849022 5.06849022 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiCoGaMg
F-43m
216
cubic
-43m
7,789.248088
false
[CIF] data_HfRe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35679004 _cell_length_b 3.35679004 _cell_length_c 5.95039009 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfRe2Pt _chemical_formula_sum 'Hf1 Re2 Pt1' _cell_volume 67.04922982 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 3.06079724 1 Pt Pt1 1 1.67839502 1.67839502 4.39993211 1 Re Re2 1 0.00000000 0.00000000 0.14369841 1 Re Re3 1 1.67839502 1.67839502 1.32115738 1 [/CIF]
HfPtRe2
P4mm
99
tetragonal
4mm
18,475.114787
false
[CIF] data_HfMg2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77102244 _cell_length_b 5.77102244 _cell_length_c 5.30367115 _cell_angle_alpha 108.85594152 _cell_angle_beta 108.85594152 _cell_angle_gamma 31.25886236 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMg2Hg _chemical_formula_sum 'Hf1 Mg2 Hg1' _cell_volume 86.34229513 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 -0.00000000 0.00000000 0.00000000 1 Hg Hg1 1 4.66768199 0.00000000 2.49804239 1 Mg Mg2 1 8.02445234 0.00000000 1.28247383 1 Mg Mg3 1 1.31091164 0.00000000 3.71361095 1 [/CIF]
HfHgMg2
C2/m
12
monoclinic
2/m
8,225.354125
false
[CIF] data_AlTlP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.82798433 _cell_length_b 8.82798433 _cell_length_c 8.82798433 _cell_angle_alpha 21.96340419 _cell_angle_beta 21.96340419 _cell_angle_gamma 21.96340419 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlTlP2 _chemical_formula_sum 'Al1 Tl1 P2' _cell_volume 84.36754381 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 -0.00000000 7.03040035 1 P P2 1 0.00000000 -0.00000000 18.80489994 1 Tl Tl3 1 0.00000000 -0.00000000 12.91765014 1 [/CIF]
AlP2Tl
R-3m
166
trigonal
-3m
5,773.033264
false
[CIF] data_CaMg3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07521158 _cell_length_b 5.07521158 _cell_length_c 5.07521158 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg3Pt _chemical_formula_sum 'Ca1 Mg3 Pt1' _cell_volume 130.72614568 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 2.53760579 0.00000000 2.53760579 1 Mg Mg2 1 2.53760579 2.53760579 0.00000000 1 Mg Mg3 1 0.00000000 2.53760579 2.53760579 1 Pt Pt4 1 2.53760579 2.53760579 2.53760579 1 [/CIF]
CaMg3Pt
Pm-3m
221
cubic
m-3m
3,913.325
false
[CIF] data_Zr9Ti2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.32839087 _cell_length_b 8.32839087 _cell_length_c 8.32839087 _cell_angle_alpha 44.28772270 _cell_angle_beta 44.28772270 _cell_angle_gamma 44.28772270 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9Ti2Ni _chemical_formula_sum 'Zr9 Ti2 Ni1' _cell_volume 255.97423264 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ti Ti1 1 0.00000000 0.00000000 4.88140088 1 Ti Ti2 1 0.00000000 -0.00000000 17.61304823 1 Zr Zr3 1 -1.56962448 -0.90622312 7.49814970 1 Zr Zr4 1 1.56962448 -0.90622312 7.49814970 1 Zr Zr5 1 -0.00000000 1.81244624 7.49814970 1 Zr Zr6 1 -0.00000000 -1.86277830 9.94537856 1 Zr Zr7 1 1.61321333 0.93138915 9.94537856 1 Zr Zr8 1 -1.61321333 0.93138915 9.94537856 1 Zr Zr9 1 0.00000000 1.86277830 12.54907055 1 Zr Zr10 1 1.61321333 -0.93138915 12.54907055 1 Zr Zr11 1 -1.61321333 -0.93138915 12.54907055 1 [/CIF]
NiTi2Zr9
R-3m
166
trigonal
-3m
6,328.014522
false
[CIF] data_CaMgCoCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63965811 _cell_length_b 4.63965811 _cell_length_c 4.63965811 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMgCoCu _chemical_formula_sum 'Ca1 Mg1 Co1 Cu1' _cell_volume 70.62247587 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28073371 3.28073371 3.28073371 1 Co Co1 1 1.64036685 1.64036685 1.64036685 1 Cu Cu2 1 4.92110057 4.92110057 4.92110057 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CaCoCuMg
F-43m
216
cubic
-43m
4,393.671718
false
[CIF] data_CaZnPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00898508 _cell_length_b 6.00898508 _cell_length_c 6.00898508 _cell_angle_alpha 134.34473058 _cell_angle_beta 134.34473058 _cell_angle_gamma 66.55006305 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaZnPb2 _chemical_formula_sum 'Ca1 Zn1 Pb2' _cell_volume 109.21143272 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pb Pb1 1 2.33124688 -0.00000000 2.51189558 1 Pb Pb2 1 0.00000000 -0.00000000 5.02379116 1 Zn Zn3 1 -0.00000000 2.33124688 2.51189558 1 [/CIF]
CaPb2Zn
I-4m2
119
tetragonal
-42m
7,904.342032
false
[CIF] data_Nb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34910868 _cell_length_b 4.34910868 _cell_length_c 4.34910868 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2Br _chemical_formula_sum 'Nb2 Br1' _cell_volume 58.16822124 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Nb Nb1 1 1.53764212 1.53764212 1.53764212 1 Nb Nb2 1 4.61292636 4.61292636 4.61292636 1 [/CIF]
BrNb2
Fm-3m
225
cubic
m-3m
7,585.465933
false
[CIF] data_CrGa5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47715860 _cell_length_b 7.74780265 _cell_length_c 7.74780265 _cell_angle_alpha 21.08019655 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGa5 _chemical_formula_sum 'Cr1 Ga5' _cell_volume 96.66494673 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 15.23320849 1 Ga Ga1 1 0.00000000 -0.00000000 9.93888009 1 Ga Ga2 1 0.00000000 0.00000000 5.28615543 1 Ga Ga3 1 2.23857930 0.00000000 8.28825583 1 Ga Ga4 1 2.23857930 0.00000000 3.49525283 1 Ga Ga5 1 2.23857930 0.00000000 13.61679723 1 [/CIF]
CrGa5
Amm2
38
orthorhombic
mm2
6,881.816052
false
[CIF] data_CaCu2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93009465 _cell_length_b 5.49739445 _cell_length_c 5.49739445 _cell_angle_alpha 37.69725854 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCu2P _chemical_formula_sum 'Ca1 Cu2 P1' _cell_volume 72.62825106 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.96504732 0.00000000 4.27953556 1 Cu Cu1 1 0.00000000 0.00000000 1.48665381 1 Cu Cu2 1 1.96504732 -0.00000000 7.06706436 1 P P3 1 0.00000000 -0.00000000 8.24691748 1 [/CIF]
CaCu2P
Amm2
38
orthorhombic
mm2
4,530.58538
false
[CIF] data_ZrNb3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87568798 _cell_length_b 4.87568798 _cell_length_c 4.87568798 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNb3W _chemical_formula_sum 'Zr1 Nb3 W1' _cell_volume 115.90647962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.43784399 0.00000000 2.43784399 1 Nb Nb1 1 2.43784399 2.43784399 0.00000000 1 Nb Nb2 1 0.00000000 2.43784399 2.43784399 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 W W4 1 2.43784399 2.43784399 2.43784399 1 [/CIF]
Nb3WZr
Pm-3m
221
cubic
m-3m
7,933.797501
false
[CIF] data_Zr2NbOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72209544 _cell_length_b 4.72209544 _cell_length_c 4.72209544 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2NbOs _chemical_formula_sum 'Zr2 Nb1 Os1' _cell_volume 74.45421402 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 3.33902571 3.33902571 3.33902571 1 Zr Zr2 1 5.00853856 5.00853856 5.00853856 1 Zr Zr3 1 1.66951285 1.66951285 1.66951285 1 [/CIF]
NbOsZr2
Fm-3m
225
cubic
m-3m
10,383.845455
false
[CIF] data_SnSb2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.57880094 _cell_length_b 6.57880094 _cell_length_c 3.29187060 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 126.06028242 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnSb2Br _chemical_formula_sum 'Sn1 Sb2 Br1' _cell_volume 115.17588105 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 1.49181453 2.93166247 1.64593530 1 Sb Sb2 1 1.49181453 -2.93166247 1.64593530 1 Sn Sn3 1 2.98362906 -0.00000000 0.00000000 1 [/CIF]
BrSb2Sn
Cmmm
65
orthorhombic
mmm
6,374.431634
false
[CIF] data_BaLiTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12813286 _cell_length_b 5.12813286 _cell_length_c 5.12813286 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiTc _chemical_formula_sum 'Ba1 Li1 Tc1' _cell_volume 95.35924574 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.81306876 1.81306876 1.81306876 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 3.62613752 3.62613752 3.62613752 1 [/CIF]
BaLiTc
F-43m
216
cubic
-43m
4,234.516076
false
[CIF] data_BeGaP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.14320853 _cell_length_b 3.14320853 _cell_length_c 6.23350374 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeGaP2 _chemical_formula_sum 'Be1 Ga1 P2' _cell_volume 61.58552006 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ga Ga1 1 0.00000000 0.00000000 3.11675187 1 P P2 1 1.57160426 1.57160426 5.16512059 1 P P3 1 1.57160426 1.57160426 1.06838315 1 [/CIF]
BeGaP2
P4/mmm
123
tetragonal
4/mmm
3,793.247651
false
[CIF] data_CaTaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.01515438 _cell_length_b 3.01515438 _cell_length_c 9.10350106 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTaAg2 _chemical_formula_sum 'Ca1 Ta1 Ag2' _cell_volume 82.76134791 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.02426575 1 Ag Ag1 1 1.50757719 1.50757719 2.05704057 1 Ca Ca2 1 0.00000000 0.00000000 4.51122010 1 Ta Ta3 1 1.50757719 1.50757719 7.06272517 1 [/CIF]
Ag2CaTa
P4mm
99
tetragonal
4mm
8,763.964568
false
[CIF] data_YCdInPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37767762 _cell_length_b 5.37767762 _cell_length_c 5.37767762 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YCdInPb _chemical_formula_sum 'Y1 Cd1 In1 Pb1' _cell_volume 109.96875099 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd Cd0 1 3.80259231 3.80259231 3.80259231 1 In In1 1 1.90129616 1.90129616 1.90129616 1 Pb Pb2 1 5.70388847 5.70388847 5.70388847 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdInPbY
F-43m
216
cubic
-43m
7,902.408234
false
[CIF] data_MnInCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64493332 _cell_length_b 4.64493332 _cell_length_c 4.64493332 _cell_angle_alpha 128.62720730 _cell_angle_beta 128.62720730 _cell_angle_gamma 75.61115701 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnInCu2 _chemical_formula_sum 'Mn1 In1 Cu2' _cell_volume 59.50400488 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.01332373 0.00000000 1.83497007 1 Cu Cu1 1 0.00000000 -0.00000000 3.66994014 1 In In2 1 -0.00000000 2.01332373 1.83497007 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2InMn
I-4m2
119
tetragonal
-42m
8,283.942846
false
[CIF] data_BaAlPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27928568 _cell_length_b 6.27928568 _cell_length_c 6.27928568 _cell_angle_alpha 41.12515008 _cell_angle_beta 41.12515008 _cell_angle_gamma 41.12515008 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAlPd2 _chemical_formula_sum 'Ba1 Al1 Pd2' _cell_volume 96.71246320 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 -0.00000000 8.60952158 1 Pd Pd2 1 0.00000000 -0.00000000 5.17498948 1 Pd Pd3 1 0.00000000 -0.00000000 12.04405368 1 [/CIF]
AlBaPd2
R-3m
166
trigonal
-3m
6,481.769998
false
[CIF] data_CaYBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63272754 _cell_length_b 6.19405648 _cell_length_c 5.47675956 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.40030034 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYBi2 _chemical_formula_sum 'Ca1 Y1 Bi2' _cell_volume 123.23130950 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.05267625 0.00000000 0.65554434 1 Bi Bi1 1 0.82792831 3.09702824 3.44968963 1 Ca Ca2 1 1.91697794 0.00000000 3.39299653 1 Y Y3 1 2.59411368 3.09702824 0.71670840 1 [/CIF]
Bi2CaY
Pm
6
monoclinic
m
7,370.066603
false
[CIF] data_Re2OsSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47161757 _cell_length_b 5.47161757 _cell_length_c 5.47161757 _cell_angle_alpha 133.34731775 _cell_angle_beta 133.34731775 _cell_angle_gamma 68.10923050 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re2OsSe2 _chemical_formula_sum 'Re2 Os1 Se2' _cell_volume 85.11800368 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Os Os0 1 0.00000000 0.00000000 0.00000000 1 Re Re1 1 0.00000000 2.16658386 2.26662897 1 Re Re2 1 2.16658386 -0.00000000 2.26662897 1 Se Se3 1 -0.00000000 0.00000000 5.71517620 1 Se Se4 1 -0.00000000 0.00000000 3.35133968 1 [/CIF]
OsRe2Se2
I4/mmm
139
tetragonal
4/mmm
14,057.245475
false
[CIF] data_ScTa2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96466530 _cell_length_b 2.96466530 _cell_length_c 8.32494574 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTa2Ir _chemical_formula_sum 'Sc1 Ta2 Ir1' _cell_volume 73.16994893 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.16247287 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.48233265 1.48233265 2.31372819 1 Ta Ta3 1 1.48233265 1.48233265 6.01121755 1 [/CIF]
IrScTa2
P4/mmm
123
tetragonal
4/mmm
13,595.430199
false
[CIF] data_Zr2ScFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05893610 _cell_length_b 9.05893610 _cell_length_c 9.05893610 _cell_angle_alpha 20.82510666 _cell_angle_beta 20.82510666 _cell_angle_gamma 20.82510666 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2ScFe _chemical_formula_sum 'Zr2 Sc1 Fe1' _cell_volume 82.26884062 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.28919981 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 0.00000000 0.00000000 20.39538652 1 Zr Zr3 1 -0.00000000 -0.00000000 6.18301311 1 [/CIF]
FeScZr2
R-3m
166
trigonal
-3m
5,717.181381
false
[CIF] data_TaBRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78171952 _cell_length_b 2.78171952 _cell_length_c 6.73796877 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBRh2 _chemical_formula_sum 'Ta1 B1 Rh2' _cell_volume 52.13815633 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.25205409 1 Rh Rh1 1 1.39085976 1.39085976 6.32273019 1 Rh Rh2 1 0.00000000 0.00000000 1.64196591 1 Ta Ta3 1 1.39085976 1.39085976 3.62817181 1 [/CIF]
BRh2Ta
P4mm
99
tetragonal
4mm
12,662.133914
false
[CIF] data_CuSiTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92321257 _cell_length_b 4.92321257 _cell_length_c 4.92321257 _cell_angle_alpha 144.66199735 _cell_angle_beta 129.57225871 _cell_angle_gamma 63.07620823 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSiTc2 _chemical_formula_sum 'Cu1 Si1 Tc2' _cell_volume 52.60005404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.49428166 0.00000000 4.02951244 1 Si Si1 1 -0.00000000 -0.00000000 2.14027193 1 Tc Tc2 1 1.49428166 -0.00000000 0.13054539 1 Tc Tc3 1 0.00000000 0.00000000 6.28772149 1 [/CIF]
CuSiTc2
Imm2
44
orthorhombic
mm2
9,137.666541
false
[CIF] data_FeCu2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18483377 _cell_length_b 4.18483377 _cell_length_c 4.18483377 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeCu2Ge _chemical_formula_sum 'Fe1 Cu2 Ge1' _cell_volume 51.82265252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.47956217 1.47956217 1.47956217 1 Cu Cu1 1 4.43868651 4.43868651 4.43868651 1 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1 Ge Ge3 1 2.95912434 2.95912434 2.95912434 1 [/CIF]
Cu2FeGe
Fm-3m
225
cubic
m-3m
8,189.383839
false
[CIF] data_TiAlCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23227740 _cell_length_b 4.23227740 _cell_length_c 4.23227740 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAlCr _chemical_formula_sum 'Ti1 Al1 Cr1' _cell_volume 53.60525649 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Al Al0 1 0.00000000 0.00000000 0.00000000 1 Cr Cr1 1 2.99267205 2.99267205 2.99267205 1 Ti Ti2 1 1.49633602 1.49633602 1.49633603 1 [/CIF]
AlCrTi
F-43m
216
cubic
-43m
3,929.287752
false
[CIF] data_TaBe2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89013754 _cell_length_b 2.89013754 _cell_length_c 6.86787871 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaBe2Hg _chemical_formula_sum 'Ta1 Be2 Hg1' _cell_volume 57.36666974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.44506877 1.44506877 1.70280742 1 Be Be1 1 1.44506877 1.44506877 5.16507129 1 Hg Hg2 1 0.00000000 0.00000000 3.43393936 1 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Be2HgTa
P4/mmm
123
tetragonal
4/mmm
11,565.752705
false
[CIF] data_VZn2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14770484 _cell_length_b 5.14770484 _cell_length_c 5.14770484 _cell_angle_alpha 140.33095812 _cell_angle_beta 140.33095812 _cell_angle_gamma 57.35112915 _symmetry_Int_Tables_number 1 _chemical_formula_structural VZn2P _chemical_formula_sum 'V1 Zn2 P1' _cell_volume 55.11300433 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 0.00000000 0.00000000 0.00000000 1 V V1 1 -0.00000000 0.00000000 4.51634342 1 Zn Zn2 1 -0.00000000 1.74664067 2.25817171 1 Zn Zn3 1 1.74664067 0.00000000 2.25817171 1 [/CIF]
PVZn2
I4/mmm
139
tetragonal
4/mmm
6,407.844851
false
[CIF] data_BaCdRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.01639703 _cell_length_b 11.01639703 _cell_length_c 11.01639703 _cell_angle_alpha 15.39903572 _cell_angle_beta 15.39903572 _cell_angle_gamma 15.39903572 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCdRe2 _chemical_formula_sum 'Ba1 Cd1 Re2' _cell_volume 82.13250502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 16.32565297 1 Cd Cd1 1 0.00000000 -0.00000000 -0.00000000 1 Re Re2 1 0.00000000 -0.00000000 8.48784673 1 Re Re3 1 0.00000000 0.00000000 24.16345922 1 [/CIF]
BaCdRe2
R-3m
166
trigonal
-3m
12,578.548541
false
[CIF] data_CsBSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81304229 _cell_length_b 13.12283400 _cell_length_c 6.25836953 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.91940189 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsBSe3 _chemical_formula_sum 'Cs4 B4 Se12' _cell_volume 613.89152318 _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 B B0 1 4.31850458 3.52686006 3.92897961 1 B B1 1 0.76251364 10.08827706 5.05223524 1 B B2 1 5.22917927 3.03455694 0.93524132 1 B B3 1 1.67318833 9.59597394 2.05849696 1 Cs Cs4 1 0.73197108 5.54571017 4.27047695 1 Cs Cs5 1 4.34904714 12.10712717 4.71073790 1 Cs Cs6 1 1.64264577 1.01570683 1.27673867 1 Cs Cs7 1 5.25972183 7.57712383 1.71699961 1 Se Se8 1 6.09265285 2.40477009 3.96282825 1 Se Se9 1 2.28454190 9.14406028 3.97535585 1 Se Se10 1 0.32560235 11.85554027 4.09354678 1 Se Se11 1 4.75541587 5.29412327 4.88766807 1 Se Se12 1 2.79647633 2.58264328 5.00585900 1 Se Se13 1 -1.01163463 8.96618709 5.01838660 1 Se Se14 1 7.00332754 4.15664691 0.96908997 1 Se Se15 1 3.19521659 10.54019072 0.98161756 1 Se Se16 1 1.23627704 7.82871073 1.09980850 1 Se Se17 1 5.66609056 1.26729373 1.89392979 1 Se Se18 1 3.70715101 3.97877372 2.01212072 1 Se Se19 1 -0.10095994 10.71806391 2.02464832 1 [/CIF]
B4Cs4Se12
P2_1/c
14
monoclinic
2/m
4,117.960605
false
[CIF] data_Tl2RhCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.39486166 _cell_length_b 8.39486166 _cell_length_c 8.39486166 _cell_angle_alpha 25.33247786 _cell_angle_beta 25.33247786 _cell_angle_gamma 25.33247786 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2RhCl _chemical_formula_sum 'Tl2 Rh1 Cl1' _cell_volume 95.32530404 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Rh Rh1 1 0.00000000 -0.00000000 12.18198343 1 Tl Tl2 1 0.00000000 -0.00000000 18.51076429 1 Tl Tl3 1 -0.00000000 0.00000000 5.85320256 1 [/CIF]
ClRhTl2
R-3m
166
trigonal
-3m
9,530.760084
false
[CIF] data_Ni2BPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22925069 _cell_length_b 4.22925069 _cell_length_c 4.22925069 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2BPb _chemical_formula_sum 'Ni2 B1 Pb1' _cell_volume 53.49033129 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 4.48579776 4.48579776 4.48579776 1 Ni Ni2 1 1.49526592 1.49526592 1.49526592 1 Pb Pb3 1 2.99053184 2.99053184 2.99053184 1 [/CIF]
BNi2Pb
Fm-3m
225
cubic
m-3m
10,411.996641
false
[CIF] data_LaZr2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58348075 _cell_length_b 5.58348075 _cell_length_c 5.44180192 _cell_angle_alpha 105.16160522 _cell_angle_beta 105.16160522 _cell_angle_gamma 35.71217612 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaZr2Se _chemical_formula_sum 'La1 Zr2 Se1' _cell_volume 95.21500720 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.56687731 -0.00000000 2.61616673 1 Se Se1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 1.79129682 -0.00000000 4.09581015 1 Zr Zr3 1 7.34245781 -0.00000000 1.13652331 1 [/CIF]
LaSeZr2
C2/m
12
monoclinic
2/m
6,981.422103
false
[CIF] data_ZrMn2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90113293 _cell_length_b 2.90113293 _cell_length_c 6.76378854 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrMn2Ru _chemical_formula_sum 'Zr1 Mn2 Ru1' _cell_volume 56.92791512 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 1.45056647 1.45056647 0.37837485 1 Mn Mn1 1 0.00000000 0.00000000 1.52453163 1 Ru Ru2 1 1.45056647 1.45056647 3.08969042 1 Zr Zr3 1 0.00000000 0.00000000 5.15308591 1 [/CIF]
Mn2RuZr
P4mm
99
tetragonal
4mm
8,814.04559
false
[CIF] data_LaMnZnCr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76265995 _cell_length_b 4.76265995 _cell_length_c 4.76265995 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaMnZnCr _chemical_formula_sum 'La1 Mn1 Zn1 Cr1' _cell_volume 76.38951036 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 1.68385457 1.68385458 1.68385458 1 Mn Mn2 1 3.36770915 3.36770915 3.36770915 1 Zn Zn3 1 5.05156373 5.05156373 5.05156372 1 [/CIF]
CrLaMnZn
F-43m
216
cubic
-43m
6,765.226358
false
[CIF] data_NaSrOsAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99357595 _cell_length_b 4.99357595 _cell_length_c 4.99357595 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrOsAu _chemical_formula_sum 'Na1 Sr1 Os1 Au1' _cell_volume 88.04809873 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.53099142 3.53099142 3.53099142 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 5.29648713 5.29648713 5.29648713 1 Sr Sr3 1 1.76549571 1.76549571 1.76549571 1 [/CIF]
AuNaOsSr
F-43m
216
cubic
-43m
9,388.355731
false
[CIF] data_La3Ti3CrO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53226200 _cell_length_b 5.53418317 _cell_length_c 7.84630294 _cell_angle_alpha 89.87367866 _cell_angle_beta 89.97293050 _cell_angle_gamma 89.98588877 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3Ti3CrO12 _chemical_formula_sum 'La3 Ti3 Cr1 O12' _cell_volume 240.22611823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.87638799 2.68597600 5.80582572 1 La La1 1 2.71191835 2.73617066 1.96743977 1 La La2 1 5.45517409 5.51784839 2.02934694 1 Ti Ti3 1 2.74564229 5.51186637 7.78560769 1 Ti Ti4 1 2.75148118 5.53527612 3.98009767 1 Ti Ti5 1 0.00818110 2.76379557 7.72271974 1 Cr Cr6 1 0.01068982 2.77392680 3.93637818 1 O O7 1 2.74354277 5.19287262 5.90636014 1 O O8 1 4.15818668 1.42830092 7.71920460 1 O O9 1 4.14472747 1.35302081 4.06737972 1 O O10 1 1.56808354 1.59714087 7.68295477 1 O O11 1 1.55930998 1.53059028 4.08480631 1 O O12 1 5.48962607 3.03578002 5.92101700 1 O O13 1 0.04388165 2.40034863 1.95887947 1 O O14 1 4.03862789 4.07672124 3.62668539 1 O O15 1 4.06760925 4.11227379 0.32108559 1 O O16 1 1.35341497 4.22955299 3.58892123 1 O O17 1 1.32499333 4.25158339 0.36016793 1 O O18 1 2.78390038 0.31009468 1.95953072 1 [/CIF]
CrLa3O12Ti3
P1
1
triclinic
1
5,559.687094
false
[CIF] data_BaRe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79088012 _cell_length_b 3.79088012 _cell_length_c 5.99845515 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaRe2Br _chemical_formula_sum 'Ba1 Re2 Br1' _cell_volume 86.20243182 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.99922758 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Re Re2 1 1.89544006 1.89544006 1.23286123 1 Re Re3 1 1.89544006 1.89544006 4.76559392 1 [/CIF]
BaBrRe2
P4/mmm
123
tetragonal
4/mmm
11,358.479538
false
[CIF] data_ZnF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50847525 _cell_length_b 3.50847525 _cell_length_c 3.50847525 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnF _chemical_formula_sum 'Zn1 F1' _cell_volume 30.53797627 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F F0 1 0.00000000 0.00000000 0.00000000 1 Zn Zn1 1 3.72129996 3.72129996 3.72129996 1 [/CIF]
FZn
F-43m
216
cubic
-43m
4,588.176821
false
[CIF] data_MgZrTcBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86179115 _cell_length_b 4.86179115 _cell_length_c 4.86179115 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZrTcBi _chemical_formula_sum 'Mg1 Zr1 Tc1 Bi1' _cell_volume 81.25945366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 5.15670823 5.15670823 5.15670823 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Tc Tc2 1 1.71890275 1.71890275 1.71890274 1 Zr Zr3 1 3.43780549 3.43780549 3.43780549 1 [/CIF]
BiMgTcZr
F-43m
216
cubic
-43m
8,652.508891
false
[CIF] data_HgRuPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07729907 _cell_length_b 5.07729907 _cell_length_c 5.07729907 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgRuPb2 _chemical_formula_sum 'Hg1 Ru1 Pb2' _cell_volume 92.55145229 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.59019260 3.59019260 3.59019260 1 Pb Pb1 1 5.38528890 5.38528890 5.38528890 1 Pb Pb2 1 1.79509630 1.79509630 1.79509630 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HgPb2Ru
Fm-3m
225
cubic
m-3m
12,847.40082
false
[CIF] data_TiVPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85607381 _cell_length_b 4.85607381 _cell_length_c 4.85607381 _cell_angle_alpha 132.88823633 _cell_angle_beta 132.88823633 _cell_angle_gamma 68.82972053 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiVPt2 _chemical_formula_sum 'Ti1 V1 Pt2' _cell_volume 60.35280552 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pt Pt0 1 0.00000000 -0.00000000 4.00610035 1 Pt Pt1 1 -0.00000000 1.94069740 2.00305018 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 V V3 1 1.94069740 0.00000000 2.00305018 1 [/CIF]
Pt2TiV
I-4m2
119
tetragonal
-42m
13,453.634406
false
[CIF] data_HfRe2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.79418645 _cell_length_b 2.79418645 _cell_length_c 8.86168249 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.29110128 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfRe2Os _chemical_formula_sum 'Hf1 Re2 Os1' _cell_volume 64.46518741 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.00000000 0.00000000 4.41371498 1 Os Os1 1 1.57678974 0.00000000 2.16592733 1 Re Re2 1 0.00000000 0.00000000 8.84973100 1 Re Re3 1 1.57678974 0.00000000 6.72483291 1 [/CIF]
HfOsRe2
Cmm2
35
orthorhombic
mm2
19,090.64427
false
[CIF] data_CuSiHgS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65898335 _cell_length_b 4.65898335 _cell_length_c 4.65898335 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuSiHgS _chemical_formula_sum 'Cu1 Si1 Hg1 S1' _cell_volume 71.50863323 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu Cu0 1 3.29439872 3.29439872 3.29439872 1 Hg Hg1 1 1.64719936 1.64719936 1.64719936 1 S S2 1 4.94159808 4.94159808 4.94159808 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CuHgSSi
F-43m
216
cubic
-43m
7,530.425037
false
[CIF] data_FeAgHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14876841 _cell_length_b 5.14876841 _cell_length_c 5.14876841 _cell_angle_alpha 146.93803051 _cell_angle_beta 134.73969806 _cell_angle_gamma 57.18228799 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeAgHg _chemical_formula_sum 'Fe1 Ag1 Hg1' _cell_volume 52.48562461 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.97569680 1 Fe Fe1 1 0.00000000 -0.00000000 3.02373191 1 Hg Hg2 1 0.00000000 -0.00000000 6.08421893 1 [/CIF]
AgFeHg
Imm2
44
orthorhombic
mm2
11,525.816834
false
[CIF] data_Eu2HoRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18737788 _cell_length_b 5.18737788 _cell_length_c 5.18737788 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Eu2HoRu _chemical_formula_sum 'Eu2 Ho1 Ru1' _cell_volume 98.70261502 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Eu Eu0 1 1.83401504 1.83401504 1.83401504 1 Eu Eu1 1 5.50204511 5.50204511 5.50204511 1 Ho Ho2 1 3.66803007 3.66803007 3.66803007 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Eu2HoRu
Fm-3m
225
cubic
m-3m
9,588.279301
false
[CIF] data_ZrScTaRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72840893 _cell_length_b 4.72840893 _cell_length_c 4.72840893 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrScTaRh _chemical_formula_sum 'Zr1 Sc1 Ta1 Rh1' _cell_volume 74.75325178 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67174501 1.67174501 1.67174501 1 Sc Sc1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 5.01523503 5.01523503 5.01523503 1 Zr Zr3 1 3.34349002 3.34349002 3.34349002 1 [/CIF]
RhScTaZr
F-43m
216
cubic
-43m
9,330.452844
false