data_[Li2Fe2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [5.0424]
_cell_length_b [5.1251]
_cell_length_c [5.1301]
_cell_angle_alpha [91.1202]
_cell_angle_beta [99.1755]
_cell_angle_gamma [92.4194]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiFeF4]
_chemical_formula_sum '[Li2 Fe2 F8]'
_cell_volume [130.7143]
_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
[
  Li  Li0  2  0.2467  0.9777  0.3171  1.0
  Fe  Fe1  2  0.2194  0.5433  0.8002  1.0
  F  F2  2  0.0444  0.2620  0.0064  1.0
  F  F3  2  0.0886  0.2854  0.5094  1.0
  F  F4  2  0.3998  0.8401  0.6811  1.0
  F  F5  2  0.4361  0.6427  0.1715  1.0
]