# generated using pymatgen data_Fe5O7F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67802788 _cell_length_b 4.67802788 _cell_length_c 15.20995195 _cell_angle_alpha 89.92340030 _cell_angle_beta 89.92340030 _cell_angle_gamma 91.56055578 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe5O7F3 _chemical_formula_sum 'Fe10 O14 F6' _cell_volume 332.72968265 _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 0.00397800 0.00612900 0.20087400 1.0 Fe Fe1 1 0.98243600 0.96869000 0.40597500 1.0 Fe Fe2 1 0.03131000 0.01756400 0.59402500 1.0 Fe Fe3 1 0.99387100 0.99602200 0.79912600 1.0 Fe Fe4 1 0.98981200 0.01018800 0.00000000 1.0 Fe Fe5 1 0.47969900 0.54053100 0.29346500 1.0 Fe Fe6 1 0.45946900 0.52030100 0.70653500 1.0 Fe Fe7 1 0.50589300 0.49410700 0.50000000 1.0 Fe Fe8 1 0.52305300 0.47500400 0.90124900 1.0 Fe Fe9 1 0.52499600 0.47694700 0.09875100 1.0 O O10 1 0.80385600 0.19614400 0.50000000 1.0 O O11 1 0.81577200 0.17861200 0.89751800 1.0 O O12 1 0.82138800 0.18422800 0.10248200 1.0 O O13 1 0.30731900 0.30835200 0.19799500 1.0 O O14 1 0.31764500 0.32355000 0.60006000 1.0 O O15 1 0.30133000 0.29792800 0.80390600 1.0 O O16 1 0.31951200 0.29561000 0.99992400 1.0 O O17 1 0.70207200 0.69867000 0.19609400 1.0 O O18 1 0.67645000 0.68235500 0.39994000 1.0 O O19 1 0.69164800 0.69268100 0.80200500 1.0 O O20 1 0.70439000 0.68048800 0.00007600 1.0 O O21 1 0.17374600 0.81816200 0.29895200 1.0 O O22 1 0.18183800 0.82625400 0.70104800 1.0 O O23 1 0.20257700 0.79742300 0.50000000 1.0 F F24 1 0.78630100 0.19810000 0.30335700 1.0 F F25 1 0.80190000 0.21369900 0.69664300 1.0 F F26 1 0.28846700 0.30032800 0.39629100 1.0 F F27 1 0.69967200 0.71153300 0.60370900 1.0 F F28 1 0.20808200 0.79848500 0.09835300 1.0 F F29 1 0.20151500 0.79191800 0.90164700 1.0