# generated using pymatgen data_Co2OF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67819900 _cell_length_b 5.61950881 _cell_length_c 13.40976939 _cell_angle_alpha 78.77183335 _cell_angle_beta 88.72444131 _cell_angle_gamma 88.35220188 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2OF3 _chemical_formula_sum 'Co10 O5 F15' _cell_volume 345.59132688 _cell_formula_units_Z 5 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 0.45870800 0.50112300 0.01565600 1.0 Co Co1 1 0.49657500 0.70083300 0.40274600 1.0 Co Co2 1 0.50577100 0.29965900 0.60062600 1.0 Co Co3 1 0.49792000 0.09688700 0.19811600 1.0 Co Co4 1 0.55358200 0.90682800 0.79398700 1.0 Co Co5 1 0.00018500 0.20014800 0.39964800 1.0 Co Co6 1 0.99300500 0.38514600 0.80229500 1.0 Co Co7 1 0.97387800 0.61686500 0.20361100 1.0 Co Co8 1 0.01748100 0.79739300 0.60114500 1.0 Co Co9 1 0.98255300 0.99714300 0.99082500 1.0 O O10 1 0.80394700 0.07186200 0.85436200 1.0 O O11 1 0.71643500 0.99147400 0.65285800 1.0 O O12 1 0.69611400 0.77608800 0.26209300 1.0 O O13 1 0.28737500 0.43353900 0.13829000 1.0 O O14 1 0.30511700 0.61136400 0.54520800 1.0 F F15 1 0.80154100 0.28238900 0.25993300 1.0 F F16 1 0.79152300 0.68182500 0.06034400 1.0 F F17 1 0.81418100 0.87623600 0.46220100 1.0 F F18 1 0.80426200 0.48969100 0.66235800 1.0 F F19 1 0.69273200 0.19156500 0.05689400 1.0 F F20 1 0.69466900 0.37647700 0.46355900 1.0 F F21 1 0.68852500 0.56896300 0.86880700 1.0 F F22 1 0.31186000 0.21850300 0.73450500 1.0 F F23 1 0.30817300 0.81433400 0.93624700 1.0 F F24 1 0.30300500 0.01750700 0.33953100 1.0 F F25 1 0.18500900 0.92477100 0.13421700 1.0 F F26 1 0.20061900 0.31676500 0.93875800 1.0 F F27 1 0.20846700 0.11538100 0.53839400 1.0 F F28 1 0.21297900 0.71914500 0.74345700 1.0 F F29 1 0.19380900 0.52009900 0.33933000 1.0