data_[Li18F18]
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 [3.8001]
_cell_length_b [20.6727]
_cell_length_c [20.6727]
_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 '[Li18 F18]'
_cell_volume [1406.4252]
_cell_formula_units_Z [18]
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  0.2762  0.0523  0.7817  1
  Li  Li1  1  0.2781  0.2120  0.7578  1
  Li  Li2  1  0.2791  0.8446  0.6507  1
  Li  Li3  1  0.2855  0.3077  0.6558  1
  Li  Li4  1  0.2889  0.7420  0.4536  1
  Li  Li5  1  0.2962  0.2313  0.4478  1
  Li  Li6  1  0.2974  0.7157  0.2689  1
  Li  Li7  1  0.2993  0.0461  0.2907  1
  Li  Li8  1  0.2998  0.8484  0.1932  1
  Li  Li9  1  0.7765  0.1498  0.8007  1
  Li  Li10  1  0.7771  0.9501  0.7071  1
  Li  Li11  1  0.7809  0.2898  0.7346  1
  Li  Li12  1  0.7826  0.7653  0.5544  1
  Li  Li13  1  0.7916  0.2600  0.5504  1
  Li  Li14  1  0.7947  0.6984  0.3484  1
  Li  Li15  1  0.7983  0.1512  0.3512  1
  Li  Li16  1  0.7990  0.7899  0.2403  1
  Li  Li17  1  0.7998  0.9455  0.2125  1
  F  F18  1  0.2766  0.1566  0.8097  1
  F  F19  1  0.2772  0.9521  0.6973  1
  F  F20  1  0.2812  0.2971  0.7435  1
  F  F21  1  0.2829  0.7562  0.5528  1
  F  F22  1  0.2913  0.2480  0.5484  1
  F  F23  1  0.2944  0.6894  0.3464  1
  F  F24  1  0.2981  0.1533  0.3444  1
  F  F25  1  0.2989  0.7995  0.2520  1
  F  F26  1  0.2999  0.9472  0.2052  1
  F  F27  1  0.7763  0.0510  0.7890  1
  F  F28  1  0.7782  0.2026  0.7458  1
  F  F29  1  0.7793  0.8429  0.6581  1
  F  F30  1  0.7856  0.3169  0.6576  1
  F  F31  1  0.7888  0.7542  0.4561  1
  F  F32  1  0.7960  0.2399  0.4490  1
  F  F33  1  0.7972  0.7085  0.2604  1
  F  F34  1  0.7993  0.0435  0.3003  1
  F  F35  1  0.7998  0.8412  0.1843  1
]