# generated using pymatgen data_Zr5Bi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.68930553 _cell_length_b 9.00357857 _cell_length_c 10.92362906 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Bi2Sb _chemical_formula_sum 'Zr20 Bi8 Sb4' _cell_volume 756.25667402 _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 Zr Zr0 1 0.47354145 0.75000000 0.50446483 1.0 Zr Zr1 1 0.97354145 0.25000000 0.99553517 1.0 Zr Zr2 1 0.52645855 0.25000000 0.49553517 1.0 Zr Zr3 1 0.02645855 0.75000000 0.00446483 1.0 Zr Zr4 1 0.31364053 0.75000000 0.23318002 1.0 Zr Zr5 1 0.81364053 0.25000000 0.26681998 1.0 Zr Zr6 1 0.68635947 0.25000000 0.76681998 1.0 Zr Zr7 1 0.18635947 0.75000000 0.73318002 1.0 Zr Zr8 1 0.17078695 0.25000000 0.70929176 1.0 Zr Zr9 1 0.67078695 0.75000000 0.79070824 1.0 Zr Zr10 1 0.82921305 0.75000000 0.29070824 1.0 Zr Zr11 1 0.32921305 0.25000000 0.20929176 1.0 Zr Zr12 1 0.19517471 0.44113798 0.44955948 1.0 Zr Zr13 1 0.69517471 0.55886202 0.05044052 1.0 Zr Zr14 1 0.80482529 0.94113798 0.55044052 1.0 Zr Zr15 1 0.30482529 0.05886202 0.94955948 1.0 Zr Zr16 1 0.80482529 0.55886202 0.55044052 1.0 Zr Zr17 1 0.30482529 0.44113798 0.94955948 1.0 Zr Zr18 1 0.19517471 0.05886202 0.44955948 1.0 Zr Zr19 1 0.69517471 0.94113798 0.05044052 1.0 Bi Bi20 1 0.06312739 0.00847730 0.17989197 1.0 Bi Bi21 1 0.56312739 0.99152270 0.32010803 1.0 Bi Bi22 1 0.93687261 0.50847730 0.82010803 1.0 Bi Bi23 1 0.43687261 0.49152270 0.67989197 1.0 Bi Bi24 1 0.93687261 0.99152270 0.82010803 1.0 Bi Bi25 1 0.43687261 0.00847730 0.67989197 1.0 Bi Bi26 1 0.06312739 0.49152270 0.17989197 1.0 Bi Bi27 1 0.56312739 0.50847730 0.32010803 1.0 Sb Sb28 1 0.09426200 0.75000000 0.47398425 1.0 Sb Sb29 1 0.59426200 0.25000000 0.02601575 1.0 Sb Sb30 1 0.90573800 0.25000000 0.52601575 1.0 Sb Sb31 1 0.40573800 0.75000000 0.97398425 1.0