# generated using pymatgen data_Fe4O3F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78367400 _cell_length_b 7.81493780 _cell_length_c 7.84925743 _cell_angle_alpha 104.09830862 _cell_angle_beta 91.66276383 _cell_angle_gamma 91.96121190 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe4O3F5 _chemical_formula_sum 'Fe8 O6 F10' _cell_volume 284.22099070 _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 0.50332200 0.88063200 0.64460800 1.0 Fe Fe1 1 0.47162000 0.61499900 0.84941000 1.0 Fe Fe2 1 0.49776000 0.37287400 0.12020500 1.0 Fe Fe3 1 0.56462500 0.13558700 0.38784500 1.0 Fe Fe4 1 0.98508300 0.77333700 0.24970200 1.0 Fe Fe5 1 0.00105300 0.49643900 0.49304000 1.0 Fe Fe6 1 0.00902400 0.24885400 0.75462400 1.0 Fe Fe7 1 0.96838500 0.98628800 0.00109800 1.0 O O8 1 0.79696000 0.97225300 0.23485800 1.0 O O9 1 0.68323200 0.82933500 0.84423400 1.0 O O10 1 0.69801500 0.35882300 0.34452200 1.0 O O11 1 0.69288900 0.09286000 0.60399300 1.0 O O12 1 0.28761200 0.64837900 0.63768500 1.0 O O13 1 0.31823900 0.40606700 0.91029600 1.0 F F14 1 0.79912900 0.47743800 0.71349400 1.0 F F15 1 0.80467200 0.72183500 0.46156400 1.0 F F16 1 0.79419900 0.23004000 0.98793100 1.0 F F17 1 0.70971800 0.59898600 0.09929900 1.0 F F18 1 0.30494700 0.15305700 0.15636100 1.0 F F19 1 0.29972300 0.90179700 0.40304900 1.0 F F20 1 0.20603300 0.01897800 0.78331000 1.0 F F21 1 0.19138600 0.53712300 0.27291300 1.0 F F22 1 0.21011600 0.76663900 0.03573600 1.0 F F23 1 0.20226400 0.27738000 0.51022500 1.0