# generated using pymatgen
data_Fe3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64545600
_cell_length_b   5.55344909
_cell_length_c   7.58329790
_cell_angle_alpha   85.52941428
_cell_angle_beta   88.84994200
_cell_angle_gamma   87.40314011
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3O5F
_chemical_formula_sum   'Fe6 O10 F2'
_cell_volume   194.81382759
_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  0.52081700  0.67871900  0.34164700  1.0
  Fe  Fe1  1  0.47918300  0.32128100  0.65835300  1.0
  Fe  Fe2  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe3  1  0.98803300  0.15411500  0.33254300  1.0
  Fe  Fe4  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe5  1  0.01196700  0.84588500  0.66745700  1.0
  O  O6  1  0.81642000  0.21036500  0.10356200  1.0
  O  O7  1  0.81003000  0.86734000  0.44451500  1.0
  O  O8  1  0.69117600  0.03858400  0.76890500  1.0
  O  O9  1  0.69401400  0.37178000  0.43423500  1.0
  O  O10  1  0.69629300  0.70291500  0.10366500  1.0
  O  O11  1  0.30882400  0.96141600  0.23109500  1.0
  O  O12  1  0.30370700  0.29708500  0.89633500  1.0
  O  O13  1  0.30598600  0.62822000  0.56576500  1.0
  O  O14  1  0.18358000  0.78963500  0.89643800  1.0
  O  O15  1  0.18997000  0.13266000  0.55548500  1.0
  F  F16  1  0.79693400  0.53463700  0.76423900  1.0
  F  F17  1  0.20306600  0.46536300  0.23576100  1.0