# generated using pymatgen data_Cs3CuF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21647192 _cell_length_b 8.21647192 _cell_length_c 6.30554074 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3CuF7 _chemical_formula_sum 'Cs6 Cu2 F14' _cell_volume 425.68964506 _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 0.18655136 0.68655136 0.50000000 1.0 Cs Cs1 1 0.68655136 0.81344864 0.50000000 1.0 Cs Cs2 1 0.31344864 0.18655136 0.50000000 1.0 Cs Cs3 1 0.81344864 0.31344864 0.50000000 1.0 Cs Cs4 1 0.50000000 0.50000000 0.00000000 1.0 Cs Cs5 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu6 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu7 1 0.50000000 0.00000000 0.00000000 1.0 F F8 1 0.38648121 0.88648121 0.78897925 1.0 F F9 1 0.61351879 0.11351879 0.78897925 1.0 F F10 1 0.11351879 0.38648121 0.78897925 1.0 F F11 1 0.88648121 0.61351879 0.78897925 1.0 F F12 1 0.38648121 0.88648121 0.21102075 1.0 F F13 1 0.88648121 0.61351879 0.21102075 1.0 F F14 1 0.11351879 0.38648121 0.21102075 1.0 F F15 1 0.61351879 0.11351879 0.21102075 1.0 F F16 1 0.00000000 0.00000000 0.50000000 1.0 F F17 1 0.50000000 0.50000000 0.50000000 1.0 F F18 1 0.84674587 0.34674587 0.00000000 1.0 F F19 1 0.34674587 0.15325413 0.00000000 1.0 F F20 1 0.65325413 0.84674587 0.00000000 1.0 F F21 1 0.15325413 0.65325413 0.00000000 1.0