data_[Li6Al2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1927]
_cell_length_b [6.7216]
_cell_length_c [11.3646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li3AlCl6]
_chemical_formula_sum '[Li6 Al2 Cl12]'
_cell_volume [402.6299]
_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  4  0.3346  0.0961  0.8249  1.0
  Li  Li1  2  0.5000  0.0000  0.5000  1.0
  Al  Al2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0920  0.2175  0.4167  1.0
  Cl  Cl4  4  0.2613  0.6844  0.4474  1.0
  Cl  Cl5  4  0.3584  0.0661  0.2242  1.0
]