# generated using pymatgen data_Zr5InBi2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67181595 _cell_length_b 8.67181585 _cell_length_c 6.02883154 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.75826395 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5InBi2P _chemical_formula_sum 'Zr10 In2 Bi4 P2' _cell_volume 393.58326883 _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 Zr Zr0 1 0.75240952 0.00541361 0.25000000 1.0 Zr Zr1 1 0.00541361 0.75240952 0.25000000 1.0 Zr Zr2 1 0.24666246 0.24666246 0.25000000 1.0 Zr Zr3 1 0.24304346 0.99876475 0.75000000 1.0 Zr Zr4 1 0.99876475 0.24304346 0.75000000 1.0 Zr Zr5 1 0.75483444 0.75483444 0.75000000 1.0 Zr Zr6 1 0.33297652 0.66777090 0.49593361 1.0 Zr Zr7 1 0.66777090 0.33297652 0.49593361 1.0 Zr Zr8 1 0.66777090 0.33297652 0.00406639 1.0 Zr Zr9 1 0.33297652 0.66777090 0.00406639 1.0 In In10 1 0.39817113 0.00142328 0.25000000 1.0 In In11 1 0.00142328 0.39817113 0.25000000 1.0 Bi Bi12 1 0.60412275 0.60412275 0.25000000 1.0 Bi Bi13 1 0.59507065 0.00064307 0.75000000 1.0 Bi Bi14 1 0.00064307 0.59507065 0.75000000 1.0 Bi Bi15 1 0.39871867 0.39871867 0.75000000 1.0 P P16 1 0.99961269 0.99961269 0.49746876 1.0 P P17 1 0.99961269 0.99961269 0.00253124 1.0