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 [P2/c]
_cell_length_a [5.5167]
_cell_length_b [5.6161]
_cell_length_c [5.4589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [LiFeF4]
_chemical_formula_sum '[Li2 Fe2 F8]'
_cell_volume [149.0330]
_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  0.5000  0.4045  0.7500  1.0
  Fe  Fe1  2  0.0000  0.1440  0.7500  1.0
  F  F2  4  0.2020  0.1160  0.5263  1.0
  F  F3  4  0.2776  0.3686  0.9561  1.0
]