data_[Fe6O2F10]
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 [3.1791]
_cell_length_b [4.8358]
_cell_length_c [14.4508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Fe3OF5]
_chemical_formula_sum '[Fe6 O2 F10]'
_cell_volume [222.1579]
_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  2  0.0000  0.2179  0.1570  1.0
  Fe  Fe1  2  0.0000  0.2345  0.5043  1.0
  Fe  Fe2  2  0.0000  0.2607  0.8338  1.0
  O  O3  2  0.0000  0.9411  0.6045  1.0
  F  F4  2  0.0000  0.5391  0.4024  1.0
  F  F5  2  0.0000  0.5419  0.0708  1.0
  F  F6  2  0.0000  0.5609  0.7309  1.0
  F  F7  2  0.0000  0.9542  0.9295  1.0
  F  F8  2  0.0000  0.9564  0.2667  1.0
]