data_[Fe2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1439]
_cell_length_b [5.2186]
_cell_length_c [5.2465]
_cell_angle_alpha [91.3193]
_cell_angle_beta [103.3451]
_cell_angle_gamma [101.3460]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [FeF4]
_chemical_formula_sum '[Fe2 F8]'
_cell_volume [134.0092]
_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  0.3403  0.4283  0.7104  1.0
  F  F1  2  0.1707  0.0631  0.7592  1.0
  F  F2  2  0.3133  0.5983  0.0338  1.0
  F  F3  2  0.4536  0.2664  0.4224  1.0
  F  F4  1  0.0000  0.0000  0.0000  1.0
  F  F5  1  0.0000  0.5000  0.5000  1.0
]