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 [P1]
_cell_length_a [3.5614]
_cell_length_b [19.2138]
_cell_length_c [19.2138]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiF]
_chemical_formula_sum '[Li6 F6]'
_cell_volume [1138.6244]
_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  1  0.0945  0.0239  0.2945  1
  Li  Li1  1  0.1393  0.7690  0.3404  1
  Li  Li2  1  0.3371  0.1574  0.6555  1
  Li  Li3  1  0.6392  0.7683  0.4320  1
  Li  Li4  1  0.8365  0.1953  0.5850  1
  Li  Li5  1  0.8376  0.0898  0.6966  1
  F  F6  1  0.1393  0.7668  0.4402  1
  F  F7  1  0.3364  0.1820  0.5688  1
  F  F8  1  0.3376  0.0734  0.6837  1
  F  F9  1  0.5945  0.0238  0.2937  1
  F  F10  1  0.6393  0.7699  0.3317  1
  F  F11  1  0.8371  0.1804  0.6780  1
]