# generated using pymatgen data_KGaCuF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.11537300 _cell_length_b 6.83186500 _cell_length_c 7.43523151 _cell_angle_alpha 85.62013111 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KGaCuF6 _chemical_formula_sum 'K4 Ga4 Cu4 F24' _cell_volume 512.32497100 _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 0.11586600 0.50022500 0.24102000 1.0 K K1 1 0.88413400 0.49977500 0.75898000 1.0 K K2 1 0.61586600 0.99977500 0.75898000 1.0 K K3 1 0.38413400 0.00022500 0.24102000 1.0 Ga Ga4 1 0.00000000 0.00000000 0.50000000 1.0 Ga Ga5 1 0.50000000 0.50000000 0.00000000 1.0 Ga Ga6 1 0.00000000 0.00000000 0.00000000 1.0 Ga Ga7 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu8 1 0.73299700 0.18398600 0.25744400 1.0 Cu Cu9 1 0.23299700 0.31601400 0.74255600 1.0 Cu Cu10 1 0.26700300 0.81601400 0.74255600 1.0 Cu Cu11 1 0.76700300 0.68398600 0.25744400 1.0 F F12 1 0.94251200 0.74914000 0.44884500 1.0 F F13 1 0.97923000 0.91527200 0.75489800 1.0 F F14 1 0.81954100 0.09823000 0.48976800 1.0 F F15 1 0.16022200 0.86437000 0.02810800 1.0 F F16 1 0.83977800 0.13563000 0.97189200 1.0 F F17 1 0.33196600 0.07713200 0.75487900 1.0 F F18 1 0.47923000 0.58472800 0.24510200 1.0 F F19 1 0.52077000 0.41527200 0.75489800 1.0 F F20 1 0.55748800 0.24914000 0.44884500 1.0 F F21 1 0.05748800 0.25086000 0.55115500 1.0 F F22 1 0.33977800 0.36437000 0.02810800 1.0 F F23 1 0.31954100 0.40177000 0.51023200 1.0 F F24 1 0.16803400 0.57713200 0.75487900 1.0 F F25 1 0.66022200 0.63563000 0.97189200 1.0 F F26 1 0.40788100 0.74107100 0.92344900 1.0 F F27 1 0.02077000 0.08472800 0.24510200 1.0 F F28 1 0.18045900 0.90177000 0.51023200 1.0 F F29 1 0.68045900 0.59823000 0.48976800 1.0 F F30 1 0.83196600 0.42286800 0.24512100 1.0 F F31 1 0.09211900 0.24107100 0.92344900 1.0 F F32 1 0.66803400 0.92286800 0.24512100 1.0 F F33 1 0.59211900 0.25892900 0.07655100 1.0 F F34 1 0.90788100 0.75892900 0.07655100 1.0 F F35 1 0.44251200 0.75086000 0.55115500 1.0