# generated using pymatgen data_Co2O3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.25208999 _cell_length_b 9.25208999 _cell_length_c 4.38752077 _cell_angle_alpha 87.46389071 _cell_angle_beta 87.46389071 _cell_angle_gamma 36.99874312 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2O3F _chemical_formula_sum 'Co8 O12 F4' _cell_volume 225.77506933 _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 0.74318300 0.74318300 0.47407000 1.0 Co Co1 1 0.25681700 0.25681700 0.52593000 1.0 Co Co2 1 0.00000000 0.00000000 0.50000000 1.0 Co Co3 1 0.50000000 0.50000000 0.50000000 1.0 Co Co4 1 0.37069000 0.87888400 0.00087300 1.0 Co Co5 1 0.12111600 0.62931000 0.99912700 1.0 Co Co6 1 0.87888400 0.37069000 0.00087300 1.0 Co Co7 1 0.62931000 0.12111600 0.99912700 1.0 O O8 1 0.07692900 0.07692900 0.81179400 1.0 O O9 1 0.32829100 0.32829100 0.80900500 1.0 O O10 1 0.95305100 0.45080900 0.69503700 1.0 O O11 1 0.70217100 0.19983700 0.69307300 1.0 O O12 1 0.45080900 0.95305100 0.69503700 1.0 O O13 1 0.19983700 0.70217100 0.69307300 1.0 O O14 1 0.80016300 0.29782900 0.30692700 1.0 O O15 1 0.04694900 0.54919100 0.30496300 1.0 O O16 1 0.54919100 0.04694900 0.30496300 1.0 O O17 1 0.29782900 0.80016300 0.30692700 1.0 O O18 1 0.92307100 0.92307100 0.18820600 1.0 O O19 1 0.67170900 0.67170900 0.19099500 1.0 F F20 1 0.81900300 0.81900300 0.77946800 1.0 F F21 1 0.57233300 0.57233300 0.78659300 1.0 F F22 1 0.42766700 0.42766700 0.21340700 1.0 F F23 1 0.18099700 0.18099700 0.22053200 1.0