# generated using pymatgen
data_Fe3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54976087
_cell_length_b   5.54976087
_cell_length_c   7.30370107
_cell_angle_alpha   70.88119254
_cell_angle_beta   70.88119254
_cell_angle_gamma   70.70146760
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3O5F
_chemical_formula_sum   'Fe6 O10 F2'
_cell_volume   194.44223369
_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  0.66960700  0.66960700  0.83585800  1.0
  Fe  Fe1  1  0.34837800  0.34837800  0.67091200  1.0
  Fe  Fe2  1  0.65162200  0.65162200  0.32908800  1.0
  Fe  Fe3  1  0.33039300  0.33039300  0.16414200  1.0
  Fe  Fe4  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe5  1  0.00000000  0.00000000  0.00000000  1.0
  O  O6  1  0.64596100  0.03029800  0.66938900  1.0
  O  O7  1  0.96970200  0.35403900  0.33061100  1.0
  O  O8  1  0.22835300  0.22835300  0.95840900  1.0
  O  O9  1  0.57506000  0.57506000  0.62099500  1.0
  O  O10  1  0.77164700  0.77164700  0.04159100  1.0
  O  O11  1  0.42494000  0.42494000  0.37900500  1.0
  O  O12  1  0.35403900  0.96970200  0.33061100  1.0
  O  O13  1  0.03029800  0.64596100  0.66938900  1.0
  O  O14  1  0.69519900  0.30480100  0.00000000  1.0
  O  O15  1  0.30480100  0.69519900  0.00000000  1.0
  F  F16  1  0.89396300  0.89396300  0.30221000  1.0
  F  F17  1  0.10603700  0.10603700  0.69779000  1.0