# generated using pymatgen data_Zr3Bi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02344381 _cell_length_b 7.02346658 _cell_length_c 17.18197107 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.99868448 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Bi5 _chemical_formula_sum 'Zr12 Bi20' _cell_volume 847.56812566 _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 0.00000000 0.50000000 0.58764688 1.0 Zr Zr1 1 0.50000000 0.00000000 0.41232490 1.0 Zr Zr2 1 0.50000000 0.00000000 0.08766702 1.0 Zr Zr3 1 0.00000000 0.50000000 0.91236206 1.0 Zr Zr4 1 0.00000000 0.00000000 0.00001388 1.0 Zr Zr5 1 0.50000000 0.50000000 0.49998569 1.0 Zr Zr6 1 0.00000000 0.00000000 0.32505359 1.0 Zr Zr7 1 0.00000000 0.00000000 0.67493261 1.0 Zr Zr8 1 0.50000000 0.50000000 0.82508560 1.0 Zr Zr9 1 0.50000000 0.50000000 0.17492775 1.0 Zr Zr10 1 0.00000000 0.50000000 0.24998602 1.0 Zr Zr11 1 0.50000000 0.00000000 0.75001294 1.0 Bi Bi12 1 0.34287236 0.30543236 0.65162733 1.0 Bi Bi13 1 0.65712764 0.69456764 0.65162733 1.0 Bi Bi14 1 0.30541212 0.65712988 0.34835802 1.0 Bi Bi15 1 0.84287771 0.19458829 0.15163509 1.0 Bi Bi16 1 0.69458788 0.34287012 0.34835802 1.0 Bi Bi17 1 0.15712229 0.80541171 0.15163509 1.0 Bi Bi18 1 0.80543983 0.84286951 0.84838255 1.0 Bi Bi19 1 0.19456017 0.15713049 0.84838255 1.0 Bi Bi20 1 0.33169331 0.16830536 0.24999254 1.0 Bi Bi21 1 0.66830669 0.83169464 0.24999254 1.0 Bi Bi22 1 0.16829713 0.66830027 0.75000651 1.0 Bi Bi23 1 0.83170287 0.33169973 0.75000651 1.0 Bi Bi24 1 0.23250334 0.34279356 0.05179425 1.0 Bi Bi25 1 0.76749666 0.65720644 0.05179425 1.0 Bi Bi26 1 0.34279163 0.76753057 0.94821907 1.0 Bi Bi27 1 0.73247362 0.15720687 0.55178467 1.0 Bi Bi28 1 0.65720837 0.23246943 0.94821907 1.0 Bi Bi29 1 0.26752638 0.84279313 0.55178467 1.0 Bi Bi30 1 0.84279296 0.73251095 0.44820049 1.0 Bi Bi31 1 0.15720704 0.26748905 0.44820049 1.0