# generated using pymatgen data_Fe10O11F9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72743700 _cell_length_b 4.73123654 _cell_length_c 15.36402138 _cell_angle_alpha 89.70417128 _cell_angle_beta 89.70164259 _cell_angle_gamma 89.05277696 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe10O11F9 _chemical_formula_sum 'Fe10 O11 F9' _cell_volume 343.58522109 _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 0.98030400 0.95634200 0.00666500 1.0 Fe Fe1 1 0.04455500 0.01991600 0.19460800 1.0 Fe Fe2 1 0.98540200 0.95010500 0.39767100 1.0 Fe Fe3 1 0.04854300 0.00328800 0.59901900 1.0 Fe Fe4 1 0.04444200 0.00318800 0.80228700 1.0 Fe Fe5 1 0.50969000 0.48943700 0.10049000 1.0 Fe Fe6 1 0.48487700 0.51911700 0.49927700 1.0 Fe Fe7 1 0.48169900 0.52529300 0.29960200 1.0 Fe Fe8 1 0.45892900 0.49093200 0.69978300 1.0 Fe Fe9 1 0.47762600 0.51856300 0.90082500 1.0 O O10 1 0.20792600 0.79209900 0.10065300 1.0 O O11 1 0.19021800 0.81711400 0.29675800 1.0 O O12 1 0.18823800 0.80636300 0.49823100 1.0 O O13 1 0.19799000 0.81314400 0.70052700 1.0 O O14 1 0.18134400 0.80617500 0.90379900 1.0 O O15 1 0.32896100 0.31849500 0.19857100 1.0 O O16 1 0.31316700 0.31249900 0.59704300 1.0 O O17 1 0.31004000 0.31329000 0.80285200 1.0 O O18 1 0.68082800 0.67106700 0.00245100 1.0 O O19 1 0.68282300 0.68036300 0.39915800 1.0 O O20 1 0.81010200 0.19027700 0.10068300 1.0 F F21 1 0.29455400 0.29115400 0.99918700 1.0 F F22 1 0.29119500 0.29849800 0.39889400 1.0 F F23 1 0.70880600 0.70544600 0.20174000 1.0 F F24 1 0.70034900 0.70480000 0.60053200 1.0 F F25 1 0.69721100 0.70546700 0.79953700 1.0 F F26 1 0.79780100 0.19429000 0.49919700 1.0 F F27 1 0.80012100 0.20184400 0.30048700 1.0 F F28 1 0.79484800 0.19502400 0.89976900 1.0 F F29 1 0.80741500 0.20640900 0.69970400 1.0