# generated using pymatgen data_Fe5O7F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66629574 _cell_length_b 4.66629574 _cell_length_c 15.26319089 _cell_angle_alpha 89.92892878 _cell_angle_beta 89.92892878 _cell_angle_gamma 88.49819491 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe5O7F3 _chemical_formula_sum 'Fe10 O14 F6' _cell_volume 332.23088200 _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 0.03281400 0.01463700 0.70620000 1.0 Fe Fe1 1 0.02370600 0.01899300 0.90111100 1.0 Fe Fe2 1 0.98100700 0.97629400 0.09888900 1.0 Fe Fe3 1 0.98536300 0.96718600 0.29380000 1.0 Fe Fe4 1 0.01486800 0.98513200 0.50000000 1.0 Fe Fe5 1 0.49102000 0.48085500 0.79916400 1.0 Fe Fe6 1 0.51914500 0.50898000 0.20083600 1.0 Fe Fe7 1 0.50210000 0.49790000 0.00000000 1.0 Fe Fe8 1 0.48704000 0.52518500 0.40448200 1.0 Fe Fe9 1 0.47481500 0.51296000 0.59551800 1.0 O O10 1 0.20876200 0.80699100 0.80468300 1.0 O O11 1 0.19674200 0.80325800 0.00000000 1.0 O O12 1 0.19300900 0.79123800 0.19531700 1.0 O O13 1 0.17900100 0.80907200 0.39613000 1.0 O O14 1 0.19092800 0.82099900 0.60387000 1.0 O O15 1 0.68687900 0.67825300 0.09622600 1.0 O O16 1 0.68185500 0.68578800 0.30211200 1.0 O O17 1 0.69231500 0.70570800 0.50197000 1.0 O O18 1 0.31421200 0.31814500 0.69788800 1.0 O O19 1 0.32174700 0.31312100 0.90377400 1.0 O O20 1 0.29429200 0.30768500 0.49803000 1.0 O O21 1 0.81652500 0.19884000 0.80192900 1.0 O O22 1 0.80116000 0.18347500 0.19807100 1.0 O O23 1 0.80885100 0.19114900 0.00000000 1.0 F F24 1 0.70340500 0.70375200 0.69993700 1.0 F F25 1 0.70563900 0.69906600 0.89847800 1.0 F F26 1 0.30093400 0.29436100 0.10152200 1.0 F F27 1 0.29624800 0.29659500 0.30006300 1.0 F F28 1 0.80123600 0.20561700 0.60212100 1.0 F F29 1 0.79438300 0.19876400 0.39787900 1.0