# generated using pymatgen data_KCdCu7Se2Cl9O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87448436 _cell_length_b 8.87448436 _cell_length_c 15.76323700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000265 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCdCu7Se2Cl9O8 _chemical_formula_sum 'K2 Cd2 Cu14 Se4 Cl18 O16' _cell_volume 1075.13322120 _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 K K0 1 0.00000000 0.00000000 0.25000000 1.0 K K1 1 0.00000000 0.00000000 0.75000000 1.0 Cd Cd2 1 0.00000000 0.00000000 0.50000000 1.0 Cd Cd3 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu4 1 0.90476500 0.45238300 0.09216300 1.0 Cu Cu5 1 0.54761700 0.09523500 0.40783700 1.0 Cu Cu6 1 0.09523500 0.54761700 0.59216300 1.0 Cu Cu7 1 0.45238300 0.54761700 0.59216300 1.0 Cu Cu8 1 0.54761700 0.45238300 0.40783700 1.0 Cu Cu9 1 0.45238300 0.90476500 0.59216300 1.0 Cu Cu10 1 0.45238300 0.90476500 0.90783700 1.0 Cu Cu11 1 0.45238300 0.54761700 0.90783700 1.0 Cu Cu12 1 0.90476500 0.45238300 0.40783700 1.0 Cu Cu13 1 0.09523500 0.54761700 0.90783700 1.0 Cu Cu14 1 0.54761700 0.09523500 0.09216300 1.0 Cu Cu15 1 0.54761700 0.45238300 0.09216300 1.0 Cu Cu16 1 0.66666700 0.33333300 0.25000000 1.0 Cu Cu17 1 0.33333300 0.66666700 0.75000000 1.0 Se Se18 1 0.66666700 0.33333300 0.59858200 1.0 Se Se19 1 0.33333300 0.66666700 0.09858200 1.0 Se Se20 1 0.66666700 0.33333300 0.90141800 1.0 Se Se21 1 0.33333300 0.66666700 0.40141800 1.0 Cl Cl22 1 0.50906400 0.01812800 0.25000000 1.0 Cl Cl23 1 0.27761300 0.13880700 0.39917100 1.0 Cl Cl24 1 0.72238700 0.86119300 0.89917100 1.0 Cl Cl25 1 0.50906400 0.49093600 0.25000000 1.0 Cl Cl26 1 0.13880700 0.86119300 0.89917100 1.0 Cl Cl27 1 0.13880700 0.27761300 0.89917100 1.0 Cl Cl28 1 0.86119300 0.72238700 0.10082900 1.0 Cl Cl29 1 0.01812800 0.50906400 0.75000000 1.0 Cl Cl30 1 0.86119300 0.72238700 0.39917100 1.0 Cl Cl31 1 0.49093600 0.50906400 0.75000000 1.0 Cl Cl32 1 0.98187200 0.49093600 0.25000000 1.0 Cl Cl33 1 0.13880700 0.27761300 0.60082900 1.0 Cl Cl34 1 0.72238700 0.86119300 0.60082900 1.0 Cl Cl35 1 0.49093600 0.98187200 0.75000000 1.0 Cl Cl36 1 0.27761300 0.13880700 0.10082900 1.0 Cl Cl37 1 0.13880700 0.86119300 0.60082900 1.0 Cl Cl38 1 0.86119300 0.13880700 0.39917100 1.0 Cl Cl39 1 0.86119300 0.13880700 0.10082900 1.0 O O40 1 0.56780200 0.13560400 0.54506700 1.0 O O41 1 0.66666700 0.33333300 0.12808400 1.0 O O42 1 0.86439600 0.43219800 0.54506700 1.0 O O43 1 0.56780200 0.43219800 0.95493300 1.0 O O44 1 0.33333300 0.66666700 0.62808400 1.0 O O45 1 0.56780200 0.13560400 0.95493300 1.0 O O46 1 0.13560400 0.56780200 0.45493300 1.0 O O47 1 0.13560400 0.56780200 0.04506700 1.0 O O48 1 0.43219800 0.56780200 0.04506700 1.0 O O49 1 0.33333300 0.66666700 0.87191600 1.0 O O50 1 0.43219800 0.86439600 0.04506700 1.0 O O51 1 0.56780200 0.43219800 0.54506700 1.0 O O52 1 0.86439600 0.43219800 0.95493300 1.0 O O53 1 0.66666700 0.33333300 0.37191600 1.0 O O54 1 0.43219800 0.56780200 0.45493300 1.0 O O55 1 0.43219800 0.86439600 0.45493300 1.0