data_[Li6Cl6]
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 [Pmn2_1]
_cell_length_a [11.0778]
_cell_length_b [3.7642]
_cell_length_c [6.7828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiCl]
_chemical_formula_sum '[Li6 Cl6]'
_cell_volume [282.8404]
_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  4  0.2123  0.3617  0.6477  1.0
  Li  Li1  2  0.0000  0.0219  0.4361  1.0
  Cl  Cl2  4  0.1972  0.1375  0.3074  1.0
  Cl  Cl3  2  0.0000  0.5199  0.6558  1.0
]