# generated using pymatgen data_Zr5Bi2BPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66888061 _cell_length_b 8.66888114 _cell_length_c 5.87877735 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.89862388 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Bi2BPb _chemical_formula_sum 'Zr10 Bi4 B2 Pb2' _cell_volume 382.98913595 _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 0.66682309 0.33387988 0.00097833 1.0 Zr Zr1 1 0.33387988 0.66682309 0.00097833 1.0 Zr Zr2 1 0.33387988 0.66682309 0.49902167 1.0 Zr Zr3 1 0.66682309 0.33387988 0.49902167 1.0 Zr Zr4 1 0.77319256 0.77319256 0.75000000 1.0 Zr Zr5 1 0.22501326 0.99887048 0.75000000 1.0 Zr Zr6 1 0.99887048 0.22501326 0.75000000 1.0 Zr Zr7 1 0.22670110 0.22670110 0.25000000 1.0 Zr Zr8 1 0.77302119 0.00248081 0.25000000 1.0 Zr Zr9 1 0.00248081 0.77302119 0.25000000 1.0 Bi Bi10 1 0.39766689 0.39766689 0.75000000 1.0 Bi Bi11 1 0.59864533 0.00065434 0.75000000 1.0 Bi Bi12 1 0.00065434 0.59864533 0.75000000 1.0 Bi Bi13 1 0.60300430 0.60300430 0.25000000 1.0 B B14 1 0.99970918 0.99970918 0.00112709 1.0 B B15 1 0.99970918 0.99970918 0.49887291 1.0 Pb Pb16 1 0.39925683 0.00066762 0.25000000 1.0 Pb Pb17 1 0.00066762 0.39925683 0.25000000 1.0