data_[Li2Fe2F6]
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 [P2_1/m]
_cell_length_a [3.2052]
_cell_length_b [7.4075]
_cell_length_c [4.9448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiFeF3]
_chemical_formula_sum '[Li2 Fe2 F6]'
_cell_volume [117.4026]
_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  0.4960  0.7500  0.5322  1.0
  Fe  Fe1  2  0.0000  0.0000  0.0000  1.0
  F  F2  4  0.4842  0.5674  0.2438  1.0
  F  F3  2  0.0026  0.2500  0.2313  1.0
]