# generated using pymatgen data_Fe6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72740000 _cell_length_b 5.60896085 _cell_length_c 7.74244129 _cell_angle_alpha 85.76878174 _cell_angle_beta 89.39582733 _cell_angle_gamma 89.20211802 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe6O7F5 _chemical_formula_sum 'Fe6 O7 F5' _cell_volume 204.70830822 _cell_formula_units_Z 1 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 0.47883600 0.84827200 0.66683700 1.0 Fe Fe1 1 0.49472300 0.49942200 0.99820900 1.0 Fe Fe2 1 0.54308300 0.16224800 0.34079500 1.0 Fe Fe3 1 0.02835400 0.32438200 0.66320500 1.0 Fe Fe4 1 0.94179700 0.65661700 0.32421800 1.0 Fe Fe5 1 0.00571200 0.00373900 0.00438100 1.0 O O6 1 0.81783600 0.36560200 0.44444000 1.0 O O7 1 0.79694100 0.70948700 0.09368700 1.0 O O8 1 0.69771400 0.21216300 0.10277500 1.0 O O9 1 0.68932900 0.86069700 0.44334700 1.0 O O10 1 0.31392500 0.13683600 0.56133300 1.0 O O11 1 0.30158300 0.79207900 0.89522700 1.0 O O12 1 0.19561200 0.29434000 0.89528900 1.0 F F13 1 0.80223800 0.03619800 0.76704200 1.0 F F14 1 0.70203100 0.53701400 0.76081700 1.0 F F15 1 0.29936200 0.46761000 0.23847900 1.0 F F16 1 0.19579100 0.95832800 0.23882300 1.0 F F17 1 0.19513300 0.63496900 0.56109600 1.0