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 [Pmn2_1]
_cell_length_a [9.0298]
_cell_length_b [4.6369]
_cell_length_c [4.6298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Fe3O5F]
_chemical_formula_sum '[Fe6 O10 F2]'
_cell_volume [193.8537]
_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  4  0.1727  0.2521  0.5101  1
  Fe  Fe1  2  0.0000  0.7253  0.9828  1
  O  O2  4  0.1606  0.5472  0.1936  1
  O  O3  4  0.1637  0.9352  0.8078  1
  O  O4  2  0.0000  0.4238  0.6875  1
  F  F5  2  0.0000  0.0415  0.3040  1
]