data_[Li2Cl2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [5.6237]
_cell_length_b [5.6906]
_cell_length_c [6.3418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [LiClF4]
_chemical_formula_sum '[Li2 Cl2 F8]'
_cell_volume [202.9515]
_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  1  0.0000  0.0000  0.0000  1.0
  Li  Li1  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl2  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  1  0.5000  0.0000  0.0000  1.0
  F  F4  4  0.2217  0.2345  0.5000  1.0
  F  F5  4  0.2610  0.2201  0.0000  1.0
]