# generated using pymatgen data_Co2O3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38539041 _cell_length_b 4.38539041 _cell_length_c 11.80212500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.81378047 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2O3F _chemical_formula_sum 'Co8 O12 F4' _cell_volume 226.70067632 _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 0.99683300 0.00316700 0.62499000 1.0 Co Co1 1 0.99683300 0.00316700 0.37501000 1.0 Co Co2 1 0.98601200 0.01398800 0.12514200 1.0 Co Co3 1 0.98601200 0.01398800 0.87485800 1.0 Co Co4 1 0.47044700 0.52955300 0.50000000 1.0 Co Co5 1 0.52005100 0.47994900 0.00000000 1.0 Co Co6 1 0.52090600 0.47909400 0.24988700 1.0 Co Co7 1 0.52090600 0.47909400 0.75011300 1.0 O O8 1 0.80171300 0.19828700 0.00000000 1.0 O O9 1 0.80422200 0.19577800 0.24963200 1.0 O O10 1 0.80422200 0.19577800 0.75036800 1.0 O O11 1 0.30024700 0.31256800 0.62519300 1.0 O O12 1 0.30024700 0.31256800 0.37480700 1.0 O O13 1 0.31250500 0.29706100 0.87493500 1.0 O O14 1 0.31250500 0.29706100 0.12506500 1.0 O O15 1 0.68743200 0.69975300 0.62519300 1.0 O O16 1 0.68743200 0.69975300 0.37480700 1.0 O O17 1 0.70293900 0.68749500 0.12506500 1.0 O O18 1 0.70293900 0.68749500 0.87493500 1.0 O O19 1 0.18934900 0.81065100 0.50000000 1.0 F F20 1 0.77594400 0.22405600 0.50000000 1.0 F F21 1 0.19885700 0.80114300 0.00000000 1.0 F F22 1 0.21072200 0.78927800 0.24574500 1.0 F F23 1 0.21072200 0.78927800 0.75425500 1.0