# generated using pymatgen data_Co2OF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.11435886 _cell_length_b 7.11435886 _cell_length_c 6.81863400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 128.65260768 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2OF3 _chemical_formula_sum 'Co8 O4 F12' _cell_volume 269.51978389 _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 Co Co0 1 0.62496500 0.87485800 0.75000000 1.0 Co Co1 1 0.12514200 0.37503500 0.75000000 1.0 Co Co2 1 0.12568100 0.87431900 0.75000000 1.0 Co Co3 1 0.37567100 0.62432900 0.25000000 1.0 Co Co4 1 0.87431900 0.12568100 0.25000000 1.0 Co Co5 1 0.62432900 0.37567100 0.75000000 1.0 Co Co6 1 0.87485800 0.62496500 0.25000000 1.0 Co Co7 1 0.37503500 0.12514200 0.25000000 1.0 O O8 1 0.46971200 0.53028800 0.75000000 1.0 O O9 1 0.78001300 0.21998700 0.75000000 1.0 O O10 1 0.53028800 0.46971200 0.25000000 1.0 O O11 1 0.21998700 0.78001300 0.25000000 1.0 F F12 1 0.97384800 0.02615200 0.75000000 1.0 F F13 1 0.62508600 0.87482300 0.05125200 1.0 F F14 1 0.12517700 0.37491400 0.05125200 1.0 F F15 1 0.87482300 0.62508600 0.94874800 1.0 F F16 1 0.37491400 0.12517700 0.94874800 1.0 F F17 1 0.62508600 0.87482300 0.44874800 1.0 F F18 1 0.12517700 0.37491400 0.44874800 1.0 F F19 1 0.02615200 0.97384800 0.25000000 1.0 F F20 1 0.27678500 0.72321500 0.75000000 1.0 F F21 1 0.72321500 0.27678500 0.25000000 1.0 F F22 1 0.87482300 0.62508600 0.55125200 1.0 F F23 1 0.37491400 0.12517700 0.55125200 1.0