data_[Li8F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.8403]
_cell_length_b [17.9655]
_cell_length_c [9.5070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiF]
_chemical_formula_sum '[Li8 F8]'
_cell_volume [655.9145]
_cell_formula_units_Z [8]
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  0.0000  0.0104  0.0592  1
  Li  Li1  2  0.0000  0.0729  0.4321  1
  Li  Li2  2  0.0000  0.9243  0.3973  1
  Li  Li3  2  0.0000  0.9914  0.7695  1
  F  F4  2  0.0000  0.0097  0.2655  1
  F  F5  2  0.0000  0.0825  0.8936  1
  F  F6  2  0.0000  0.9201  0.9353  1
  F  F7  2  0.0000  0.9882  0.5637  1
]