data_[Li12Cl12]
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 [Pc]
_cell_length_a [20.1938]
_cell_length_b [6.6580]
_cell_length_c [13.1253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [LiCl]
_chemical_formula_sum '[Li12 Cl12]'
_cell_volume [1764.6928]
_cell_formula_units_Z [12]
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  0.3826  0.4041  0.9512  1
  Li  Li1  2  0.4081  0.1399  0.2603  1
  Li  Li2  2  0.4490  0.0289  0.9621  1
  Li  Li3  2  0.5518  0.4699  0.4590  1
  Li  Li4  2  0.5910  0.3608  0.7562  1
  Li  Li5  2  0.6176  0.0935  0.4466  1
  Cl  Cl6  2  0.3706  0.1507  0.8348  1
  Cl  Cl7  2  0.4183  0.2441  0.0966  1
  Cl  Cl8  2  0.4447  0.3163  0.4072  1
  Cl  Cl9  2  0.5546  0.1849  0.9038  1
  Cl  Cl10  2  0.5837  0.2541  0.5927  1
  Cl  Cl11  2  0.6278  0.3468  0.3296  1
]