data_[Al2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3238]
_cell_length_b [7.3397]
_cell_length_c [7.8426]
_cell_angle_alpha [86.1858]
_cell_angle_beta [85.6312]
_cell_angle_gamma [69.1430]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlCl4]
_chemical_formula_sum '[Al2 Cl8]'
_cell_volume [338.8693]
_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
[
  Al  Al0  2  0.2752  0.4577  0.9229  1.0
  Cl  Cl1  2  0.0287  0.2775  0.0345  1.0
  Cl  Cl2  2  0.0783  0.0810  0.5497  1.0
  Cl  Cl3  2  0.3570  0.3243  0.6846  1.0
  Cl  Cl4  2  0.4948  0.3349  0.1402  1.0
]