data_[Fe6O10F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6385]
_cell_length_b [5.5312]
_cell_length_c [7.5993]
_cell_angle_alpha [85.1823]
_cell_angle_beta [89.6821]
_cell_angle_gamma [89.9678]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Fe3O5F]
_chemical_formula_sum '[Fe6 O10 F2]'
_cell_volume [194.2783]
_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  0.4944  0.1700  0.3368  1
  Fe  Fe1  1  0.5049  0.4878  0.9990  1
  Fe  Fe2  1  0.5336  0.8404  0.6622  1
  Fe  Fe3  1  0.9854  0.0093  0.0080  1
  Fe  Fe4  1  0.9893  0.6634  0.3206  1
  Fe  Fe5  1  0.9956  0.3242  0.6695  1
  O  O6  1  0.1903  0.9551  0.2242  1
  O  O7  1  0.1917  0.2885  0.9013  1
  O  O8  1  0.3038  0.4597  0.2340  1
  O  O9  1  0.3132  0.1323  0.5632  1
  O  O10  1  0.6891  0.2037  0.1159  1
  O  O11  1  0.6932  0.5345  0.7665  1
  O  O12  1  0.6988  0.8776  0.4282  1
  O  O13  1  0.8012  0.7088  0.0900  1
  O  O14  1  0.8068  0.0332  0.7815  1
  O  O15  1  0.8118  0.3794  0.4392  1
  F  F16  1  0.1989  0.6402  0.5681  1
  F  F17  1  0.2980  0.7918  0.8916  1
]