data_[Li10Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [7.9916]
_cell_length_b [18.4925]
_cell_length_c [12.0787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [LiCl]
_chemical_formula_sum '[Li10 Cl10]'
_cell_volume [1738.7565]
_cell_formula_units_Z [10]
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  0.0116  0.4885  0.3160  1
  Li  Li1  2  0.2219  0.4306  0.0248  1
  Li  Li2  2  0.2581  0.4796  0.5476  1
  Li  Li3  2  0.4209  0.5317  0.8815  1
  Li  Li4  1  0.0000  0.5402  0.0000  1
  Li  Li5  1  0.5000  0.5987  0.5000  1
  Cl  Cl6  2  0.0121  0.4358  0.1388  1
  Cl  Cl7  2  0.2556  0.5499  0.7007  1
  Cl  Cl8  2  0.2902  0.5668  0.0343  1
  Cl  Cl9  2  0.2977  0.5333  0.3846  1
  Cl  Cl10  1  0.0000  0.4187  0.5000  1
  Cl  Cl11  1  0.5000  0.4098  0.0000  1
]