# generated using pymatgen data_Fe5O7F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65786800 _cell_length_b 4.66366964 _cell_length_c 15.28141223 _cell_angle_alpha 89.81745224 _cell_angle_beta 89.70879586 _cell_angle_gamma 88.39852883 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe5O7F3 _chemical_formula_sum 'Fe10 O14 F6' _cell_volume 331.81892676 _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 0.99791700 0.00604600 0.00008200 1.0 Fe Fe1 1 0.01366200 0.97706600 0.79648200 1.0 Fe Fe2 1 0.02665000 0.98968300 0.60550500 1.0 Fe Fe3 1 0.01130300 0.02059300 0.39994300 1.0 Fe Fe4 1 0.01248900 0.01575800 0.19980100 1.0 Fe Fe5 1 0.52252200 0.53994400 0.90703400 1.0 Fe Fe6 1 0.46936500 0.48760300 0.49333100 1.0 Fe Fe7 1 0.48455000 0.51722600 0.70057400 1.0 Fe Fe8 1 0.48254500 0.48649300 0.29821100 1.0 Fe Fe9 1 0.47614200 0.47937100 0.10030900 1.0 O O10 1 0.20482000 0.19513700 0.70266300 1.0 O O11 1 0.18755400 0.18335700 0.50200100 1.0 O O12 1 0.18454500 0.19282400 0.29785200 1.0 O O13 1 0.18076500 0.18719800 0.09643900 1.0 O O14 1 0.29999400 0.70328500 0.00427700 1.0 O O15 1 0.32506600 0.69481300 0.80489900 1.0 O O16 1 0.30887900 0.68046000 0.59619700 1.0 O O17 1 0.29698500 0.69607900 0.39465300 1.0 O O18 1 0.30203700 0.69093000 0.19903100 1.0 O O19 1 0.69666400 0.30878600 0.00262600 1.0 O O20 1 0.68774400 0.30561700 0.39682100 1.0 O O21 1 0.68668800 0.30585300 0.19918200 1.0 O O22 1 0.82414000 0.82312800 0.90307700 1.0 O O23 1 0.80828800 0.79824900 0.69890600 1.0 F F24 1 0.20725300 0.20696100 0.90078300 1.0 F F25 1 0.70926700 0.30670400 0.80318900 1.0 F F26 1 0.69893100 0.29503000 0.59748700 1.0 F F27 1 0.79782400 0.79740500 0.49866100 1.0 F F28 1 0.79624800 0.80325700 0.10114600 1.0 F F29 1 0.79916500 0.80514500 0.29884200 1.0