data_[Li2F16]
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 [C2/m]
_cell_length_a [7.8257]
_cell_length_b [8.4828]
_cell_length_c [4.1841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiF8]
_chemical_formula_sum '[Li2 F16]'
_cell_volume [261.5661]
_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  0.0000  0.0000  0.0000  1
  F  F1  8  0.0948  0.1395  0.7096  1
  F  F2  4  0.0000  0.3871  0.0000  1
  F  F3  4  0.1180  0.5000  0.6650  1
]