# generated using pymatgen data_Fe4O3F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69510900 _cell_length_b 5.70117062 _cell_length_c 10.06762568 _cell_angle_alpha 102.88973595 _cell_angle_beta 96.25226747 _cell_angle_gamma 114.29991653 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe4O3F5 _chemical_formula_sum 'Fe8 O6 F10' _cell_volume 282.90807015 _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 0.37227700 0.88026500 0.75616800 1.0 Fe Fe1 1 0.11806500 0.62941300 0.25542600 1.0 Fe Fe2 1 0.76160700 0.74907000 0.49515700 1.0 Fe Fe3 1 0.24904100 0.24958300 0.50073300 1.0 Fe Fe4 1 0.53228000 0.50542900 0.98862400 1.0 Fe Fe5 1 0.59923100 0.11202900 0.25623600 1.0 Fe Fe6 1 0.84733800 0.36188600 0.75570300 1.0 Fe Fe7 1 0.98686300 0.99995400 0.00422700 1.0 O O8 1 0.36391500 0.07404100 0.85263200 1.0 O O9 1 0.86991900 0.17389800 0.65235000 1.0 O O10 1 0.62883900 0.32086700 0.34993300 1.0 O O11 1 0.13213300 0.82728700 0.34497200 1.0 O O12 1 0.90552500 0.57883100 0.83870200 1.0 O O13 1 0.62107900 0.92927000 0.14968600 1.0 F F14 1 0.43438700 0.23223400 0.60140600 1.0 F F15 1 0.12725700 0.42283700 0.15014200 1.0 F F16 1 0.38153600 0.67382700 0.64804200 1.0 F F17 1 0.80486200 0.00878700 0.90144100 1.0 F F18 1 0.06391000 0.26194900 0.39893700 1.0 F F19 1 0.29024700 0.49126400 0.90110600 1.0 F F20 1 0.18304400 0.98593700 0.10178600 1.0 F F21 1 0.96304500 0.76194700 0.60005600 1.0 F F22 1 0.71093300 0.51178900 0.10198500 1.0 F F23 1 0.53495300 0.73877000 0.40062300 1.0