# generated using pymatgen data_Fe10O11F9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70241300 _cell_length_b 4.71009149 _cell_length_c 15.47620782 _cell_angle_alpha 89.87613255 _cell_angle_beta 89.78419914 _cell_angle_gamma 89.48469382 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe10O11F9 _chemical_formula_sum 'Fe10 O11 F9' _cell_volume 342.76229094 _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 0.03908200 0.01413400 0.99374100 1.0 Fe Fe1 1 0.01009600 0.98570000 0.80596800 1.0 Fe Fe2 1 0.02673900 0.98362900 0.60195400 1.0 Fe Fe3 1 0.99892300 0.95830000 0.40062300 1.0 Fe Fe4 1 0.99433700 0.95336100 0.19741900 1.0 Fe Fe5 1 0.50251300 0.48027400 0.90418000 1.0 Fe Fe6 1 0.49592400 0.52317000 0.50436500 1.0 Fe Fe7 1 0.48340300 0.52175900 0.68929500 1.0 Fe Fe8 1 0.50427800 0.54020300 0.30169000 1.0 Fe Fe9 1 0.47712200 0.51912000 0.10127200 1.0 O O10 1 0.21266300 0.79629400 0.89772400 1.0 O O11 1 0.19111900 0.81340600 0.70460600 1.0 O O12 1 0.19260600 0.80721300 0.50063600 1.0 O O13 1 0.18001100 0.79822600 0.29931700 1.0 O O14 1 0.18998800 0.81347000 0.09674700 1.0 O O15 1 0.70308400 0.70546000 0.60046500 1.0 O O16 1 0.68511600 0.69198600 0.40256200 1.0 O O17 1 0.68021600 0.69032700 0.19814100 1.0 O O18 1 0.31979400 0.31544600 0.00181200 1.0 O O19 1 0.30454000 0.30522200 0.59872400 1.0 O O20 1 0.81358700 0.19485100 0.89814500 1.0 F F21 1 0.70679900 0.70166400 0.99993700 1.0 F F22 1 0.69318300 0.68671900 0.79917300 1.0 F F23 1 0.31279900 0.30708000 0.79730500 1.0 F F24 1 0.29686900 0.29846600 0.39944300 1.0 F F25 1 0.28981100 0.29872400 0.20128500 1.0 F F26 1 0.80443600 0.19743500 0.49868600 1.0 F F27 1 0.79994200 0.20246200 0.70457200 1.0 F F28 1 0.80008900 0.20203200 0.10020400 1.0 F F29 1 0.79093100 0.19387000 0.30000800 1.0