# generated using pymatgen data_BaFeCuPb2ClO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97283400 _cell_length_b 3.97283400 _cell_length_c 11.59392800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaFeCuPb2ClO5 _chemical_formula_sum 'Ba1 Fe1 Cu1 Pb2 Cl1 O5' _cell_volume 182.99171904 _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 Ba Ba0 1 0.50000000 0.50000000 0.51404800 1.0 Fe Fe1 1 0.00000000 0.00000000 0.32540800 1.0 Cu Cu2 1 0.00000000 0.00000000 0.68934400 1.0 Pb Pb3 1 0.50000000 0.50000000 0.83231500 1.0 Pb Pb4 1 0.50000000 0.50000000 0.16108400 1.0 Cl Cl5 1 0.00000000 0.00000000 0.00670800 1.0 O O6 1 0.00000000 0.50000000 0.70649100 1.0 O O7 1 0.50000000 0.00000000 0.70649100 1.0 O O8 1 0.00000000 0.50000000 0.28555600 1.0 O O9 1 0.50000000 0.00000000 0.28555600 1.0 O O10 1 0.00000000 0.00000000 0.48699900 1.0