# generated using pymatgen data_K2CuF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80136849 _cell_length_b 5.80140380 _cell_length_c 13.29212554 _cell_angle_alpha 102.59816710 _cell_angle_beta 102.59837750 _cell_angle_gamma 90.00622605 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2CuF4 _chemical_formula_sum 'K8 Cu4 F16' _cell_volume 425.54397663 _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 0.42875733 0.42876071 0.85752591 1.0 K K1 1 0.57124267 0.57123929 0.14247409 1.0 K K2 1 0.92876066 0.92875741 0.85752615 1.0 K K3 1 0.07123934 0.07124259 0.14247385 1.0 K K4 1 0.82047306 0.32047298 0.64094541 1.0 K K5 1 0.17952694 0.67952702 0.35905459 1.0 K K6 1 0.67953111 0.17953125 0.35905789 1.0 K K7 1 0.32046889 0.82046875 0.64094211 1.0 Cu Cu8 1 0.00000000 0.50000000 -0.00000000 1.0 Cu Cu9 1 0.50000000 -0.00000000 -0.00000000 1.0 Cu Cu10 1 0.75000001 0.74999990 0.50000002 1.0 Cu Cu11 1 0.24999999 0.25000010 0.49999998 1.0 F F12 1 0.17448697 0.17448280 0.34858842 1.0 F F13 1 0.50000000 -0.00000000 0.50000000 1.0 F F14 1 0.57692254 0.07692531 0.15371686 1.0 F F15 1 0.50000000 0.50000000 0.50000000 1.0 F F16 1 0.73151077 0.76847993 0.00000090 1.0 F F17 1 0.82551303 0.82551720 0.65141158 1.0 F F18 1 0.07673854 0.57674206 0.15358995 1.0 F F19 1 0.42307746 0.92307469 0.84628314 1.0 F F20 1 0.32551454 0.32551571 0.65141153 1.0 F F21 1 0.00000000 -0.00000000 0.50000000 1.0 F F22 1 0.26848923 0.23152007 -0.00000090 1.0 F F23 1 0.92326146 0.42325794 0.84641005 1.0 F F24 1 0.23157355 0.73157450 0.00003856 1.0 F F25 1 0.67448546 0.67448429 0.34858847 1.0 F F26 1 0.76842645 0.26842550 -0.00003856 1.0 F F27 1 0.00000000 0.50000000 0.50000000 1.0