# generated using pymatgen data_Co2OF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.08497686 _cell_length_b 10.08497686 _cell_length_c 4.80451355 _cell_angle_alpha 87.44433044 _cell_angle_beta 87.44433044 _cell_angle_gamma 35.22388549 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2OF3 _chemical_formula_sum 'Co8 O4 F12' _cell_volume 281.53235738 _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 0.86831000 0.38182000 0.49928600 1.0 Co Co1 1 0.38182000 0.86831000 0.49928600 1.0 Co Co2 1 0.13169000 0.61818000 0.50071400 1.0 Co Co3 1 0.61818000 0.13169000 0.50071400 1.0 Co Co4 1 0.50000000 0.50000000 0.00000000 1.0 Co Co5 1 0.23999700 0.23999700 0.03959900 1.0 Co Co6 1 0.00000000 0.00000000 0.00000000 1.0 Co Co7 1 0.76000300 0.76000300 0.96040100 1.0 O O8 1 0.82976400 0.82976400 0.68060700 1.0 O O9 1 0.58165600 0.58165600 0.67296600 1.0 O O10 1 0.17023600 0.17023600 0.31939300 1.0 O O11 1 0.41834400 0.41834400 0.32703400 1.0 F F12 1 0.95163700 0.45228400 0.80739300 1.0 F F13 1 0.20118700 0.70040000 0.80478900 1.0 F F14 1 0.45228400 0.95163700 0.80739300 1.0 F F15 1 0.70040000 0.20118700 0.80478900 1.0 F F16 1 0.07526000 0.07526000 0.70123300 1.0 F F17 1 0.31954100 0.31954100 0.71712000 1.0 F F18 1 0.92474000 0.92474000 0.29876700 1.0 F F19 1 0.68045900 0.68045900 0.28288000 1.0 F F20 1 0.54771600 0.04836300 0.19260700 1.0 F F21 1 0.04836300 0.54771600 0.19260700 1.0 F F22 1 0.79881300 0.29960000 0.19521100 1.0 F F23 1 0.29960000 0.79881300 0.19521100 1.0