# generated using pymatgen data_Fe10O11F9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70197500 _cell_length_b 4.70465300 _cell_length_c 15.50166745 _cell_angle_alpha 89.72580944 _cell_angle_beta 89.83474325 _cell_angle_gamma 89.58568264 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe10O11F9 _chemical_formula_sum 'Fe10 O11 F9' _cell_volume 342.90059400 _cell_formula_units_Z 1 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 Fe Fe0 1 0.98913900 0.03424100 0.00452000 1.0 Fe Fe1 1 0.02727700 0.97051100 0.18874300 1.0 Fe Fe2 1 0.00939600 0.01053800 0.40414900 1.0 Fe Fe3 1 0.00255900 0.04203100 0.60162800 1.0 Fe Fe4 1 0.00643100 0.03831900 0.80223400 1.0 Fe Fe5 1 0.50497300 0.50292100 0.10141000 1.0 Fe Fe6 1 0.49472200 0.46991300 0.49373400 1.0 Fe Fe7 1 0.49282300 0.51315600 0.30564500 1.0 Fe Fe8 1 0.50645100 0.46242800 0.69829800 1.0 Fe Fe9 1 0.49935500 0.46031500 0.90070300 1.0 O O10 1 0.20536000 0.20176700 0.10070600 1.0 O O11 1 0.18933700 0.19150500 0.49960600 1.0 O O12 1 0.19060900 0.19735900 0.70120500 1.0 O O13 1 0.18408600 0.19573200 0.90326900 1.0 O O14 1 0.68503800 0.31730000 0.00398300 1.0 O O15 1 0.69932500 0.29948800 0.39497600 1.0 O O16 1 0.68696800 0.30844400 0.59705600 1.0 O O17 1 0.68818200 0.30415300 0.80052500 1.0 O O18 1 0.32517500 0.68135100 0.20099300 1.0 O O19 1 0.30030800 0.69939500 0.39936400 1.0 O O20 1 0.80551400 0.80177300 0.09799200 1.0 F F21 1 0.19704800 0.18729300 0.29620600 1.0 F F22 1 0.71052700 0.29347600 0.20432200 1.0 F F23 1 0.29731700 0.70251000 0.99720700 1.0 F F24 1 0.29507600 0.69974900 0.60130200 1.0 F F25 1 0.29751700 0.69799700 0.80057800 1.0 F F26 1 0.79883300 0.80224800 0.50208100 1.0 F F27 1 0.81784000 0.80713800 0.29758200 1.0 F F28 1 0.79412100 0.80355900 0.89944700 1.0 F F29 1 0.79869400 0.80339000 0.70053400 1.0