# generated using pymatgen data_SrPb2I6O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.47471191 _cell_length_b 10.47471191 _cell_length_c 10.47471191 _cell_angle_alpha 114.15626600 _cell_angle_beta 114.15626600 _cell_angle_gamma 100.45985888 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrPb2I6O7 _chemical_formula_sum 'Sr2 Pb4 I12 O14' _cell_volume 868.67855181 _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 Sr Sr0 1 0.75000000 0.25000000 0.50000000 1.0 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1.0 Pb Pb2 1 0.37500000 0.12500000 0.75000000 1.0 Pb Pb3 1 0.37500000 0.62500000 0.25000000 1.0 Pb Pb4 1 0.87500000 0.62500000 0.25000000 1.0 Pb Pb5 1 0.37500000 0.62500000 0.75000000 1.0 I I6 1 0.07153800 0.57153800 0.50000000 1.0 I I7 1 0.67846200 0.67846200 0.00000000 1.0 I I8 1 0.42846200 0.92846200 0.50000000 1.0 I I9 1 0.32153800 0.32153800 0.00000000 1.0 I I10 1 0.54759100 0.45240900 0.50000000 1.0 I I11 1 0.95240900 0.04759100 0.50000000 1.0 I I12 1 0.79759100 0.20240900 0.00000000 1.0 I I13 1 0.20240900 0.79759100 0.00000000 1.0 I I14 1 0.54759100 0.04759100 0.09518200 1.0 I I15 1 0.95240900 0.45240900 0.90481800 1.0 I I16 1 0.79759100 0.79759100 0.59518200 1.0 I I17 1 0.20240900 0.20240900 0.40481800 1.0 O O18 1 0.93079000 0.43079000 0.50000000 1.0 O O19 1 0.81921000 0.81921000 0.00000000 1.0 O O20 1 0.56921000 0.06921000 0.50000000 1.0 O O21 1 0.18079000 0.18079000 0.00000000 1.0 O O22 1 0.53893600 0.25537600 0.28356000 1.0 O O23 1 0.97181600 0.25537600 0.71644000 1.0 O O24 1 0.77818400 0.99462400 0.78356000 1.0 O O25 1 0.21106400 0.99462400 0.21644000 1.0 O O26 1 0.74462400 0.46106400 0.71644000 1.0 O O27 1 0.74462400 0.02818400 0.28356000 1.0 O O28 1 0.00537600 0.22181600 0.21644000 1.0 O O29 1 0.00537600 0.78893600 0.78356000 1.0 O O30 1 0.25000000 0.75000000 0.50000000 1.0 O O31 1 0.50000000 0.50000000 0.00000000 1.0