data_[Li6F6]
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 [Pc]
_cell_length_a [17.9146]
_cell_length_b [5.5239]
_cell_length_c [5.4041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [LiF]
_chemical_formula_sum '[Li6 F6]'
_cell_volume [534.7757]
_cell_formula_units_Z [6]
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  0.4263  0.3632  0.2867  1
  Li  Li1  2  0.4957  0.1558  0.8091  1
  Li  Li2  2  0.5783  0.3682  0.4823  1
  F  F3  2  0.4209  0.3493  0.9515  1
  F  F4  2  0.4953  0.1590  0.4419  1
  F  F5  2  0.5836  0.3506  0.8164  1
]