# generated using pymatgen data_Fe4O3F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20840400 _cell_length_b 6.55870700 _cell_length_c 7.03727900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe4O3F5 _chemical_formula_sum 'Fe8 O6 F10' _cell_volume 286.55168685 _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 0.00000000 0.72313600 0.00000000 1.0 Fe Fe1 1 0.50000000 0.76261500 0.00000000 1.0 Fe Fe2 1 0.73173600 0.26223900 0.00000000 1.0 Fe Fe3 1 0.26826400 0.26223900 0.00000000 1.0 Fe Fe4 1 0.76826400 0.73776100 0.50000000 1.0 Fe Fe5 1 0.23173600 0.73776100 0.50000000 1.0 Fe Fe6 1 0.50000000 0.27686400 0.50000000 1.0 Fe Fe7 1 0.00000000 0.23738500 0.50000000 1.0 O O8 1 0.50000000 0.06522300 0.00000000 1.0 O O9 1 0.00000000 0.93477700 0.50000000 1.0 O O10 1 0.00000000 0.43574800 0.00000000 1.0 O O11 1 0.50000000 0.45686500 0.00000000 1.0 O O12 1 0.00000000 0.54313500 0.50000000 1.0 O O13 1 0.50000000 0.56425200 0.50000000 1.0 F F14 1 0.23103000 0.75469300 0.80150100 1.0 F F15 1 0.76897000 0.75469300 0.80150100 1.0 F F16 1 0.00000000 0.04232800 0.00000000 1.0 F F17 1 0.50000000 0.95767200 0.50000000 1.0 F F18 1 0.76897000 0.75469300 0.19849900 1.0 F F19 1 0.23103000 0.75469300 0.19849900 1.0 F F20 1 0.26897000 0.24530700 0.69849900 1.0 F F21 1 0.73103000 0.24530700 0.69849900 1.0 F F22 1 0.26897000 0.24530700 0.30150100 1.0 F F23 1 0.73103000 0.24530700 0.30150100 1.0