# generated using pymatgen data_LiFe5O5F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47833231 _cell_length_b 3.49963405 _cell_length_c 13.12349109 _cell_angle_alpha 90.00000380 _cell_angle_beta 89.98636001 _cell_angle_gamma 120.20280008 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFe5O5F _chemical_formula_sum 'Li1 Fe5 O5 F1' _cell_volume 138.06467196 _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 Li Li0 1 0.33766900 0.66888400 0.98161200 1.0 Fe Fe1 1 0.32485600 0.66247800 0.30727400 1.0 Fe Fe2 1 0.32787600 0.66398900 0.65394800 1.0 Fe Fe3 1 0.66849700 0.33429900 0.48055700 1.0 Fe Fe4 1 0.66694100 0.33352000 0.15794600 1.0 Fe Fe5 1 0.67210000 0.33610000 0.80288600 1.0 O O6 1 0.33684900 0.66847400 0.47929100 1.0 O O7 1 0.34312300 0.67161100 0.82045400 1.0 O O8 1 0.33816200 0.66913100 0.13956600 1.0 O O9 1 0.65523600 0.32766800 0.31760400 1.0 O O10 1 0.65847500 0.32928800 0.64232800 1.0 F F11 1 0.67021600 0.33515800 0.97956800 1.0