# generated using pymatgen data_Bi2P3(PbO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.78698556 _cell_length_b 9.78698556 _cell_length_c 7.51100400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999706 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2P3(PbO4)3 _chemical_formula_sum 'Bi4 P6 Pb6 O24' _cell_volume 623.05521202 _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 Bi Bi0 1 0.33333300 0.66666700 0.99869400 1.0 Bi Bi1 1 0.66666700 0.33333300 0.00130600 1.0 Bi Bi2 1 0.66666700 0.33333300 0.49869400 1.0 Bi Bi3 1 0.33333300 0.66666700 0.50130600 1.0 P P4 1 0.40398400 0.03184800 0.25000000 1.0 P P5 1 0.59601600 0.96815200 0.75000000 1.0 P P6 1 0.96815200 0.37213600 0.25000000 1.0 P P7 1 0.03184800 0.62786400 0.75000000 1.0 P P8 1 0.62786400 0.59601600 0.25000000 1.0 P P9 1 0.37213600 0.40398400 0.75000000 1.0 Pb Pb10 1 0.22103600 0.22541400 0.25000000 1.0 Pb Pb11 1 0.77896400 0.77458600 0.75000000 1.0 Pb Pb12 1 0.77458600 0.99562200 0.25000000 1.0 Pb Pb13 1 0.22541400 0.00437800 0.75000000 1.0 Pb Pb14 1 0.00437800 0.77896400 0.25000000 1.0 Pb Pb15 1 0.99562200 0.22103600 0.75000000 1.0 O O16 1 0.34434000 0.07895500 0.08173700 1.0 O O17 1 0.65566000 0.92104500 0.91826300 1.0 O O18 1 0.92104500 0.26538500 0.08173700 1.0 O O19 1 0.65566000 0.92104500 0.58173700 1.0 O O20 1 0.07895500 0.73461500 0.91826300 1.0 O O21 1 0.34434000 0.07895500 0.41826300 1.0 O O22 1 0.73461500 0.65566000 0.08173700 1.0 O O23 1 0.07895500 0.73461500 0.58173700 1.0 O O24 1 0.26538500 0.34434000 0.91826300 1.0 O O25 1 0.92104500 0.26538500 0.41826300 1.0 O O26 1 0.26538500 0.34434000 0.58173700 1.0 O O27 1 0.73461500 0.65566000 0.41826300 1.0 O O28 1 0.59077000 0.13667700 0.25000000 1.0 O O29 1 0.40923000 0.86332300 0.75000000 1.0 O O30 1 0.86332300 0.45409300 0.25000000 1.0 O O31 1 0.13667700 0.54590700 0.75000000 1.0 O O32 1 0.54590700 0.40923000 0.25000000 1.0 O O33 1 0.45409300 0.59077000 0.75000000 1.0 O O34 1 0.14709500 0.49939400 0.25000000 1.0 O O35 1 0.85290500 0.50060600 0.75000000 1.0 O O36 1 0.50060600 0.64770000 0.25000000 1.0 O O37 1 0.49939400 0.35230000 0.75000000 1.0 O O38 1 0.35230000 0.85290500 0.25000000 1.0 O O39 1 0.64770000 0.14709500 0.75000000 1.0