# generated using pymatgen data_Pb2Cl3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.56462472 _cell_length_b 11.56462472 _cell_length_c 3.91298700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000412 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pb2Cl3O _chemical_formula_sum 'Pb6 Cl9 O3' _cell_volume 453.21273740 _cell_formula_units_Z 3 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 Pb Pb0 1 0.60480200 0.06033100 0.50000000 1.0 Pb Pb1 1 0.93966900 0.54447100 0.50000000 1.0 Pb Pb2 1 0.45552900 0.39519800 0.50000000 1.0 Pb Pb3 1 0.16676300 0.88704600 0.00000000 1.0 Pb Pb4 1 0.11295400 0.27971700 0.00000000 1.0 Pb Pb5 1 0.72028300 0.83323700 0.00000000 1.0 Cl Cl6 1 0.86107300 0.05696600 0.50000000 1.0 Cl Cl7 1 0.94303400 0.80410700 0.50000000 1.0 Cl Cl8 1 0.19589300 0.13892700 0.50000000 1.0 Cl Cl9 1 0.83120700 0.30799700 0.00000000 1.0 Cl Cl10 1 0.69200300 0.52321000 0.00000000 1.0 Cl Cl11 1 0.47679000 0.16879300 0.00000000 1.0 Cl Cl12 1 0.32183900 0.84834000 0.50000000 1.0 Cl Cl13 1 0.15166000 0.47349900 0.50000000 1.0 Cl Cl14 1 0.52650100 0.67816100 0.50000000 1.0 O O15 1 0.60352200 0.95483200 0.00000000 1.0 O O16 1 0.04516800 0.64869000 0.00000000 1.0 O O17 1 0.35131000 0.39647800 0.00000000 1.0