# generated using pymatgen data_Fe10O11F9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78080096 _cell_length_b 4.78080096 _cell_length_c 15.25679600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.12396266 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe10O11F9 _chemical_formula_sum 'Fe10 O11 F9' _cell_volume 346.72026636 _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 0.98974500 0.01025500 0.59446400 1.0 Fe Fe1 1 0.98974500 0.01025500 0.40553600 1.0 Fe Fe2 1 0.00022800 0.99977200 0.20289500 1.0 Fe Fe3 1 0.99986800 0.00013200 0.00000000 1.0 Fe Fe4 1 0.00022800 0.99977200 0.79710500 1.0 Fe Fe5 1 0.53254400 0.46745600 0.50000000 1.0 Fe Fe6 1 0.49993700 0.50006300 0.10057200 1.0 Fe Fe7 1 0.49651900 0.50348100 0.30144800 1.0 Fe Fe8 1 0.49993700 0.50006300 0.89942800 1.0 Fe Fe9 1 0.49651900 0.50348100 0.69855200 1.0 O O10 1 0.81210200 0.18789800 0.50000000 1.0 O O11 1 0.30659800 0.30082800 0.60146800 1.0 O O12 1 0.30659800 0.30082800 0.39853200 1.0 O O13 1 0.29980700 0.30344300 0.20075000 1.0 O O14 1 0.30077900 0.30052900 0.00000000 1.0 O O15 1 0.29980700 0.30344300 0.79925000 1.0 O O16 1 0.69917200 0.69340200 0.60146800 1.0 O O17 1 0.69917200 0.69340200 0.39853200 1.0 O O18 1 0.69655700 0.70019300 0.20075000 1.0 O O19 1 0.69947100 0.69922100 0.00000000 1.0 O O20 1 0.69655700 0.70019300 0.79925000 1.0 F F21 1 0.80628800 0.19371200 0.29972000 1.0 F F22 1 0.80780000 0.19220000 0.10037700 1.0 F F23 1 0.80780000 0.19220000 0.89962300 1.0 F F24 1 0.80628800 0.19371200 0.70028000 1.0 F F25 1 0.19137600 0.80862400 0.50000000 1.0 F F26 1 0.19147200 0.80852800 0.10070600 1.0 F F27 1 0.18780700 0.81219300 0.30177800 1.0 F F28 1 0.18780700 0.81219300 0.69822200 1.0 F F29 1 0.19147200 0.80852800 0.89929400 1.0