# generated using pymatgen data_CsCrCuF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44631272 _cell_length_b 7.44631272 _cell_length_c 7.44631272 _cell_angle_alpha 121.19291424 _cell_angle_beta 120.13778057 _cell_angle_gamma 88.85387461 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsCrCuF6 _chemical_formula_sum 'Cs2 Cr2 Cu2 F12' _cell_volume 288.92006391 _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 Cs Cs0 1 0.37197200 0.12197200 0.25000000 1.0 Cs Cs1 1 0.62802800 0.87802800 0.75000000 1.0 Cr Cr2 1 0.00000000 0.50000000 0.50000000 1.0 Cr Cr3 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu4 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu5 1 0.00000000 0.00000000 0.50000000 1.0 F F6 1 0.31229600 0.56229600 0.75000000 1.0 F F7 1 0.93269400 0.18269400 0.75000000 1.0 F F8 1 0.33027100 0.18709500 0.75999800 1.0 F F9 1 0.92709700 0.57027300 0.74000200 1.0 F F10 1 0.33027100 0.57027300 0.14317600 1.0 F F11 1 0.92709700 0.18709500 0.35682400 1.0 F F12 1 0.68770400 0.43770400 0.25000000 1.0 F F13 1 0.06730600 0.81730600 0.25000000 1.0 F F14 1 0.66972900 0.81290500 0.24000200 1.0 F F15 1 0.07290300 0.42972700 0.25999800 1.0 F F16 1 0.66972900 0.42972700 0.85682400 1.0 F F17 1 0.07290300 0.81290500 0.64317600 1.0