# generated using pymatgen data_Fe5O7F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66250841 _cell_length_b 4.66250841 _cell_length_c 15.26308644 _cell_angle_alpha 89.97313512 _cell_angle_beta 89.97313512 _cell_angle_gamma 91.42331972 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe5O7F3 _chemical_formula_sum 'Fe10 O14 F6' _cell_volume 331.70155340 _cell_formula_units_Z 2 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 0.03684300 0.01444200 0.90530200 1.0 Fe Fe1 1 0.98555800 0.96315700 0.09469800 1.0 Fe Fe2 1 0.02021500 0.98549700 0.29970300 1.0 Fe Fe3 1 0.01737700 0.98262300 0.50000000 1.0 Fe Fe4 1 0.01450300 0.97978500 0.70029700 1.0 Fe Fe5 1 0.50904800 0.49095200 0.00000000 1.0 Fe Fe6 1 0.48646500 0.51390300 0.40140600 1.0 Fe Fe7 1 0.48660800 0.52776800 0.20690400 1.0 Fe Fe8 1 0.48609700 0.51353500 0.59859400 1.0 Fe Fe9 1 0.47223200 0.51339200 0.79309600 1.0 O O10 1 0.20808300 0.79191700 0.00000000 1.0 O O11 1 0.18010400 0.80400700 0.19839300 1.0 O O12 1 0.19420300 0.81223600 0.40036100 1.0 O O13 1 0.18776400 0.80579700 0.59963900 1.0 O O14 1 0.19599300 0.81989600 0.80160700 1.0 O O15 1 0.67951700 0.67383600 0.09983700 1.0 O O16 1 0.69658900 0.69975500 0.30476400 1.0 O O17 1 0.69349600 0.69141500 0.50020900 1.0 O O18 1 0.69205600 0.69604700 0.69685400 1.0 O O19 1 0.32616400 0.32048300 0.90016300 1.0 O O20 1 0.30395300 0.30794400 0.30314600 1.0 O O21 1 0.30858500 0.30650400 0.49979100 1.0 O O22 1 0.30024500 0.30341100 0.69523600 1.0 O O23 1 0.80687200 0.19312800 0.00000000 1.0 F F24 1 0.70770300 0.70588600 0.89569000 1.0 F F25 1 0.29411400 0.29229700 0.10431000 1.0 F F26 1 0.80590600 0.19737000 0.40088400 1.0 F F27 1 0.79393900 0.19286200 0.20045000 1.0 F F28 1 0.80713800 0.20606100 0.79955000 1.0 F F29 1 0.80263000 0.19409400 0.59911600 1.0