# generated using pymatgen data_P3Pb5O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.93302836 _cell_length_b 9.93302836 _cell_length_c 7.47620100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000240 _symmetry_Int_Tables_number 1 _chemical_formula_structural P3Pb5O13 _chemical_formula_sum 'P6 Pb10 O26' _cell_volume 638.81475852 _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 P P0 1 0.39905300 0.03016900 0.25000000 1.0 P P1 1 0.60094700 0.96983100 0.75000000 1.0 P P2 1 0.96983100 0.36888400 0.25000000 1.0 P P3 1 0.03016900 0.63111600 0.75000000 1.0 P P4 1 0.63111600 0.60094700 0.25000000 1.0 P P5 1 0.36888400 0.39905300 0.75000000 1.0 Pb Pb6 1 0.33333300 0.66666700 0.00040400 1.0 Pb Pb7 1 0.66666700 0.33333300 0.99959600 1.0 Pb Pb8 1 0.66666700 0.33333300 0.50040400 1.0 Pb Pb9 1 0.33333300 0.66666700 0.49959600 1.0 Pb Pb10 1 0.23288800 0.23601500 0.25000000 1.0 Pb Pb11 1 0.76711200 0.76398500 0.75000000 1.0 Pb Pb12 1 0.76398500 0.99687400 0.25000000 1.0 Pb Pb13 1 0.23601500 0.00312600 0.75000000 1.0 Pb Pb14 1 0.00312600 0.76711200 0.25000000 1.0 Pb Pb15 1 0.99687400 0.23288800 0.75000000 1.0 O O16 1 0.14915600 0.47908300 0.25000000 1.0 O O17 1 0.85084400 0.52091700 0.75000000 1.0 O O18 1 0.52091700 0.67007300 0.25000000 1.0 O O19 1 0.47908300 0.32992700 0.75000000 1.0 O O20 1 0.32992700 0.85084400 0.25000000 1.0 O O21 1 0.67007300 0.14915600 0.75000000 1.0 O O22 1 0.00000000 0.00000000 0.25000000 1.0 O O23 1 0.00000000 0.00000000 0.75000000 1.0 O O24 1 0.58137800 0.11571800 0.25000000 1.0 O O25 1 0.41862200 0.88428200 0.75000000 1.0 O O26 1 0.88428200 0.46566000 0.25000000 1.0 O O27 1 0.11571800 0.53434000 0.75000000 1.0 O O28 1 0.53434000 0.41862200 0.25000000 1.0 O O29 1 0.46566000 0.58137800 0.75000000 1.0 O O30 1 0.34478200 0.08486300 0.08250300 1.0 O O31 1 0.65521800 0.91513700 0.91749700 1.0 O O32 1 0.91513700 0.25991900 0.08250300 1.0 O O33 1 0.65521800 0.91513700 0.58250300 1.0 O O34 1 0.08486300 0.74008100 0.91749700 1.0 O O35 1 0.34478200 0.08486300 0.41749700 1.0 O O36 1 0.74008100 0.65521800 0.08250300 1.0 O O37 1 0.08486300 0.74008100 0.58250300 1.0 O O38 1 0.25991900 0.34478200 0.91749700 1.0 O O39 1 0.91513700 0.25991900 0.41749700 1.0 O O40 1 0.25991900 0.34478200 0.58250300 1.0 O O41 1 0.74008100 0.65521800 0.41749700 1.0