# generated using pymatgen data_Pb2Cl2F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54317900 _cell_length_b 3.54317900 _cell_length_c 13.92196600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pb2Cl2F _chemical_formula_sum 'Pb2 Cl2 F1' _cell_volume 174.77799597 _cell_formula_units_Z 1 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 0.50000000 0.50000000 0.17157000 1.0 Pb Pb1 1 0.50000000 0.50000000 0.82843000 1.0 Cl Cl2 1 0.50000000 0.50000000 0.64680600 1.0 Cl Cl3 1 0.50000000 0.50000000 0.35319400 1.0 F F4 1 0.50000000 0.50000000 0.00000000 1.0