# generated using pymatgen
data_Fe3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51490100
_cell_length_b   5.54850600
_cell_length_c   7.08063306
_cell_angle_alpha   73.44575297
_cell_angle_beta   72.93767612
_cell_angle_gamma   74.68558097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3O5F
_chemical_formula_sum   'Fe6 O10 F2'
_cell_volume   194.65159405
_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  0.66391700  0.65500300  0.84049300  1.0
  Fe  Fe1  1  0.30494300  0.36031200  0.66689200  1.0
  Fe  Fe2  1  0.69505700  0.63968800  0.33310800  1.0
  Fe  Fe3  1  0.33608300  0.34499700  0.15950700  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  0.01107800  0.65574400  0.66457600  1.0
  O  O7  1  0.90684600  0.89125700  0.29693800  1.0
  O  O8  1  0.22467900  0.23723500  0.96242100  1.0
  O  O9  1  0.56247000  0.56524500  0.62701700  1.0
  O  O10  1  0.77532100  0.76276500  0.03757900  1.0
  O  O11  1  0.43753000  0.43475500  0.37298300  1.0
  O  O12  1  0.09315400  0.10874300  0.70306200  1.0
  O  O13  1  0.98892200  0.34425600  0.33542400  1.0
  O  O14  1  0.31132200  0.69845800  0.99425300  1.0
  O  O15  1  0.68867800  0.30154200  0.00574700  1.0
  F  F16  1  0.37485200  0.96461900  0.33142700  1.0
  F  F17  1  0.62514800  0.03538100  0.66857300  1.0