# generated using pymatgen data_Fe6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69450700 _cell_length_b 5.63354225 _cell_length_c 7.74748088 _cell_angle_alpha 85.86473732 _cell_angle_beta 89.56515325 _cell_angle_gamma 88.87379188 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe6O7F5 _chemical_formula_sum 'Fe6 O7 F5' _cell_volume 204.31851246 _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 0.52350900 0.15999800 0.33539900 1.0 Fe Fe1 1 0.46060300 0.47928600 0.98554900 1.0 Fe Fe2 1 0.52607200 0.82371500 0.66326000 1.0 Fe Fe3 1 0.99381900 0.67376600 0.32395500 1.0 Fe Fe4 1 0.96623400 0.34939500 0.67711300 1.0 Fe Fe5 1 0.01564300 0.01385400 0.01709100 1.0 O O6 1 0.80752700 0.63110800 0.55242700 1.0 O O7 1 0.80548100 0.96226600 0.23463300 1.0 O O8 1 0.80353900 0.29574900 0.90679800 1.0 O O9 1 0.69159600 0.12932500 0.56376700 1.0 O O10 1 0.30547000 0.54015000 0.75927800 1.0 O O11 1 0.31204800 0.20139300 0.11400500 1.0 O O12 1 0.19284300 0.70044800 0.10061900 1.0 F F13 1 0.70243600 0.79616800 0.89915400 1.0 F F14 1 0.69245300 0.46634400 0.22990000 1.0 F F15 1 0.29862500 0.87100000 0.43671600 1.0 F F16 1 0.20211900 0.03749000 0.76901200 1.0 F F17 1 0.19998300 0.36854600 0.43132400 1.0