# generated using pymatgen data_K2CuCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05355800 _cell_length_b 9.34649000 _cell_length_c 12.17177400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CuCl4 _chemical_formula_sum 'K8 Cu4 Cl16' _cell_volume 802.43648606 _cell_formula_units_Z 4 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 0.25000000 0.99406400 0.17282500 1.0 K K1 1 0.75000000 0.00593600 0.82717500 1.0 K K2 1 0.75000000 0.50593600 0.67282500 1.0 K K3 1 0.25000000 0.49406400 0.32717500 1.0 K K4 1 0.25000000 0.64700900 0.91668300 1.0 K K5 1 0.75000000 0.35299100 0.08331700 1.0 K K6 1 0.75000000 0.85299100 0.41668300 1.0 K K7 1 0.25000000 0.14700900 0.58331700 1.0 Cu Cu8 1 0.25000000 0.72477300 0.57500500 1.0 Cu Cu9 1 0.75000000 0.27522700 0.42499500 1.0 Cu Cu10 1 0.75000000 0.77522700 0.07500500 1.0 Cu Cu11 1 0.25000000 0.22477300 0.92499500 1.0 Cl Cl12 1 0.98143500 0.80412000 0.65258600 1.0 Cl Cl13 1 0.01856500 0.19588000 0.34741400 1.0 Cl Cl14 1 0.01856500 0.69588000 0.15258600 1.0 Cl Cl15 1 0.48143500 0.19588000 0.34741400 1.0 Cl Cl16 1 0.98143500 0.30412000 0.84741400 1.0 Cl Cl17 1 0.51856500 0.80412000 0.65258600 1.0 Cl Cl18 1 0.51856500 0.30412000 0.84741400 1.0 Cl Cl19 1 0.48143500 0.69588000 0.15258600 1.0 Cl Cl20 1 0.25000000 0.48460900 0.59746000 1.0 Cl Cl21 1 0.75000000 0.51539100 0.40254000 1.0 Cl Cl22 1 0.75000000 0.01539100 0.09746000 1.0 Cl Cl23 1 0.25000000 0.98460900 0.90254000 1.0 Cl Cl24 1 0.25000000 0.33276500 0.09002800 1.0 Cl Cl25 1 0.75000000 0.66723500 0.90997200 1.0 Cl Cl26 1 0.75000000 0.16723500 0.59002800 1.0 Cl Cl27 1 0.25000000 0.83276500 0.40997200 1.0