# generated using pymatgen data_Co2O3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27656289 _cell_length_b 5.27656289 _cell_length_c 9.63096386 _cell_angle_alpha 69.98416897 _cell_angle_beta 69.98416897 _cell_angle_gamma 67.39038058 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2O3F _chemical_formula_sum 'Co8 O12 F4' _cell_volume 225.62062329 _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 0.00000000 0.00000000 0.00000000 1.0 Co Co1 1 0.72713800 0.72713800 0.51476700 1.0 Co Co2 1 0.12128300 0.62856500 0.74963000 1.0 Co Co3 1 0.87871700 0.37143500 0.25037000 1.0 Co Co4 1 0.37143400 0.87871700 0.25037000 1.0 Co Co5 1 0.50000000 0.50000000 0.00000000 1.0 Co Co6 1 0.27286200 0.27286200 0.48523300 1.0 Co Co7 1 0.62856500 0.12128300 0.74963000 1.0 O O8 1 0.70100300 0.20108000 0.90280400 1.0 O O9 1 0.29899700 0.79892000 0.09719600 1.0 O O10 1 0.04602400 0.54984100 0.59709600 1.0 O O11 1 0.79892000 0.29899700 0.09719600 1.0 O O12 1 0.73203800 0.73203800 0.84433600 1.0 O O13 1 0.51448900 0.51448900 0.65481800 1.0 O O14 1 0.26796200 0.26796200 0.15566400 1.0 O O15 1 0.45015900 0.95397600 0.40290400 1.0 O O16 1 0.95397600 0.45015900 0.40290400 1.0 O O17 1 0.20108000 0.70100300 0.90280400 1.0 O O18 1 0.54984100 0.04602400 0.59709600 1.0 O O19 1 0.48551100 0.48551100 0.34518200 1.0 F F20 1 0.78461800 0.78461800 0.14320300 1.0 F F21 1 0.95659700 0.95659700 0.36082800 1.0 F F22 1 0.21538200 0.21538200 0.85679700 1.0 F F23 1 0.04340300 0.04340300 0.63917200 1.0