# generated using pymatgen data_CuPb2Cl3O2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.16245519 _cell_length_b 12.16245519 _cell_length_c 12.16245519 _cell_angle_alpha 110.55451706 _cell_angle_beta 110.55451706 _cell_angle_gamma 107.32569770 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPb2Cl3O2 _chemical_formula_sum 'Cu8 Pb16 Cl24 O16' _cell_volume 1383.52503338 _cell_formula_units_Z 8 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 Cu Cu0 1 0.90800800 0.59199200 0.00000000 1.0 Cu Cu1 1 0.40800800 0.40800800 0.31601500 1.0 Cu Cu2 1 0.84199200 0.65800800 0.50000000 1.0 Cu Cu3 1 0.34199200 0.84199200 0.18398500 1.0 Cu Cu4 1 0.09199200 0.09199200 0.68398500 1.0 Cu Cu5 1 0.59199200 0.90800800 0.00000000 1.0 Cu Cu6 1 0.65800800 0.15800800 0.81601500 1.0 Cu Cu7 1 0.15800800 0.34199200 0.50000000 1.0 Pb Pb8 1 0.07687700 0.57609000 0.31843200 1.0 Pb Pb9 1 0.57687700 0.25844500 0.50078700 1.0 Pb Pb10 1 0.82609000 0.82687700 0.81843200 1.0 Pb Pb11 1 0.32609000 0.50765800 0.99921300 1.0 Pb Pb12 1 0.67312300 0.67391000 0.18156800 1.0 Pb Pb13 1 0.17312300 0.99155500 0.99921300 1.0 Pb Pb14 1 0.92391000 0.42312300 0.68156800 1.0 Pb Pb15 1 0.42391000 0.74234200 0.50078700 1.0 Pb Pb16 1 0.75765800 0.07609000 0.49921300 1.0 Pb Pb17 1 0.25765800 0.75844500 0.68156800 1.0 Pb Pb18 1 0.50844500 0.32687700 0.00078700 1.0 Pb Pb19 1 0.00844500 0.00765800 0.18156800 1.0 Pb Pb20 1 0.99234200 0.17391000 0.00078700 1.0 Pb Pb21 1 0.49234200 0.49155500 0.81843200 1.0 Pb Pb22 1 0.24155500 0.92312300 0.49921300 1.0 Pb Pb23 1 0.74155500 0.24234200 0.31843200 1.0 Cl Cl24 1 0.85682000 0.37500000 0.98182000 1.0 Cl Cl25 1 0.35682000 0.37500000 0.48182000 1.0 Cl Cl26 1 0.62500000 0.60682000 0.48182000 1.0 Cl Cl27 1 0.12500000 0.64318000 0.01818000 1.0 Cl Cl28 1 0.89318000 0.87500000 0.51818000 1.0 Cl Cl29 1 0.39318000 0.87500000 0.01818000 1.0 Cl Cl30 1 0.62500000 0.10682000 0.98182000 1.0 Cl Cl31 1 0.12500000 0.14318000 0.51818000 1.0 Cl Cl32 1 0.95423000 0.74905700 0.20475100 1.0 Cl Cl33 1 0.45423000 0.24947900 0.20517300 1.0 Cl Cl34 1 0.99905700 0.70423000 0.70475100 1.0 Cl Cl35 1 0.49905700 0.79430600 0.29482700 1.0 Cl Cl36 1 0.79577000 0.50094300 0.29524900 1.0 Cl Cl37 1 0.29577000 0.00052100 0.29482700 1.0 Cl Cl38 1 0.75094300 0.54577000 0.79524900 1.0 Cl Cl39 1 0.25094300 0.45569400 0.20517300 1.0 Cl Cl40 1 0.04430600 0.24905700 0.79482700 1.0 Cl Cl41 1 0.54430600 0.74947900 0.79524900 1.0 Cl Cl42 1 0.49947900 0.20423000 0.70517300 1.0 Cl Cl43 1 0.99947900 0.29430600 0.29524900 1.0 Cl Cl44 1 0.70569400 0.00094300 0.70517300 1.0 Cl Cl45 1 0.20569400 0.50052100 0.70475100 1.0 Cl Cl46 1 0.25052100 0.04577000 0.79482700 1.0 Cl Cl47 1 0.75052100 0.95569400 0.20475100 1.0 O O48 1 0.10307000 0.74926400 0.49955600 1.0 O O49 1 0.60307000 0.10351500 0.35380600 1.0 O O50 1 0.99926400 0.85307000 0.99955600 1.0 O O51 1 0.49926400 0.49970800 0.14619400 1.0 O O52 1 0.64693000 0.50073600 0.00044400 1.0 O O53 1 0.14693000 0.14648500 0.14619400 1.0 O O54 1 0.75073600 0.39693000 0.50044400 1.0 O O55 1 0.25073600 0.75029200 0.35380600 1.0 O O56 1 0.74970800 0.24926400 0.64619400 1.0 O O57 1 0.24970800 0.60351500 0.50044400 1.0 O O58 1 0.35351500 0.35307000 0.85380600 1.0 O O59 1 0.85351500 0.99970800 0.00044400 1.0 O O60 1 0.00029200 0.00073600 0.85380600 1.0 O O61 1 0.50029200 0.64648500 0.99955600 1.0 O O62 1 0.39648500 0.89693000 0.64619400 1.0 O O63 1 0.89648500 0.25029200 0.49955600 1.0