# generated using pymatgen data_Co3(O2F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44647453 _cell_length_b 5.44647453 _cell_length_c 7.42490839 _cell_angle_alpha 68.75557792 _cell_angle_beta 68.75557792 _cell_angle_gamma 67.93134252 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3(O2F)2 _chemical_formula_sum 'Co6 O8 F4' _cell_volume 183.60516281 _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 Co Co0 1 0.67891700 0.67891700 0.85762900 1.0 Co Co1 1 0.65897100 0.65897100 0.32525600 1.0 Co Co2 1 0.33706700 0.33706700 0.65453200 1.0 Co Co3 1 0.33888000 0.33888000 0.17844300 1.0 Co Co4 1 0.99739000 0.99739000 0.49665400 1.0 Co Co5 1 0.99224800 0.99224800 0.99689600 1.0 O O6 1 0.96995100 0.36004300 0.33041600 1.0 O O7 1 0.64207400 0.03001200 0.66856000 1.0 O O8 1 0.44304600 0.44304600 0.37160600 1.0 O O9 1 0.76398400 0.76398400 0.04887200 1.0 O O10 1 0.36004300 0.96995100 0.33041600 1.0 O O11 1 0.03001200 0.64207400 0.66856000 1.0 O O12 1 0.69316000 0.30630300 0.00257200 1.0 O O13 1 0.30630300 0.69316000 0.00257200 1.0 F F14 1 0.57663300 0.57663300 0.61289000 1.0 F F15 1 0.88174200 0.88174200 0.30516500 1.0 F F16 1 0.22801100 0.22801100 0.95362300 1.0 F F17 1 0.10156900 0.10156900 0.69534000 1.0