# generated using pymatgen data_Fe5O7F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66050900 _cell_length_b 4.67069498 _cell_length_c 15.19630438 _cell_angle_alpha 89.66024188 _cell_angle_beta 89.78672820 _cell_angle_gamma 88.40090146 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe5O7F3 _chemical_formula_sum 'Fe10 O14 F6' _cell_volume 330.65362584 _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 0.99840700 0.00531700 0.70077400 1.0 Fe Fe1 1 0.01771300 0.96859900 0.90522400 1.0 Fe Fe2 1 0.98228700 0.03140100 0.09477600 1.0 Fe Fe3 1 0.00159300 0.99468300 0.29922600 1.0 Fe Fe4 1 0.00000000 0.00000000 0.50000000 1.0 Fe Fe5 1 0.52143200 0.53701900 0.79344200 1.0 Fe Fe6 1 0.47856800 0.46298100 0.20655800 1.0 Fe Fe7 1 0.50000000 0.50000000 0.00000000 1.0 Fe Fe8 1 0.52639400 0.52507400 0.40080200 1.0 Fe Fe9 1 0.47360600 0.47492600 0.59919800 1.0 O O10 1 0.19997500 0.20001100 0.99820200 1.0 O O11 1 0.17321300 0.18241500 0.20160300 1.0 O O12 1 0.17791500 0.18078200 0.60012600 1.0 O O13 1 0.69245100 0.30411700 0.69770000 1.0 O O14 1 0.67073600 0.31469800 0.10075400 1.0 O O15 1 0.70266100 0.30398400 0.30412100 1.0 O O16 1 0.69427700 0.30674800 0.50016500 1.0 O O17 1 0.29733900 0.69601600 0.69587900 1.0 O O18 1 0.32926400 0.68530200 0.89924600 1.0 O O19 1 0.30754900 0.69588300 0.30230000 1.0 O O20 1 0.30572300 0.69325200 0.49983500 1.0 O O21 1 0.82678700 0.81758500 0.79839700 1.0 O O22 1 0.80002500 0.79998900 0.00179800 1.0 O O23 1 0.82208500 0.81921800 0.39987400 1.0 F F24 1 0.21269800 0.20024500 0.80129500 1.0 F F25 1 0.20722700 0.20222500 0.40042000 1.0 F F26 1 0.71479900 0.30149800 0.89573600 1.0 F F27 1 0.28520100 0.69850200 0.10426400 1.0 F F28 1 0.78730200 0.79975500 0.19870500 1.0 F F29 1 0.79277300 0.79777500 0.59958000 1.0