# generated using pymatgen data_BiPPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12358200 _cell_length_b 8.07250900 _cell_length_c 12.22231800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiPPb2 _chemical_formula_sum 'Bi4 P4 Pb8' _cell_volume 505.51705014 _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 Bi Bi0 1 0.69454100 0.25000000 0.35128200 1.0 Bi Bi1 1 0.19454100 0.25000000 0.14871800 1.0 Bi Bi2 1 0.30545900 0.75000000 0.64871800 1.0 Bi Bi3 1 0.80545900 0.75000000 0.85128200 1.0 P P4 1 0.15536600 0.75000000 0.03773000 1.0 P P5 1 0.65536600 0.75000000 0.46227000 1.0 P P6 1 0.84463400 0.25000000 0.96227000 1.0 P P7 1 0.34463400 0.25000000 0.53773000 1.0 Pb Pb8 1 0.73457100 0.51961500 0.10852700 1.0 Pb Pb9 1 0.23457100 0.98038500 0.39147300 1.0 Pb Pb10 1 0.26542900 0.01961500 0.89147300 1.0 Pb Pb11 1 0.76542900 0.48038500 0.60852700 1.0 Pb Pb12 1 0.26542900 0.48038500 0.89147300 1.0 Pb Pb13 1 0.76542900 0.01961500 0.60852700 1.0 Pb Pb14 1 0.73457100 0.98038500 0.10852700 1.0 Pb Pb15 1 0.23457100 0.51961500 0.39147300 1.0