data_[Al4H4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8372]
_cell_length_b [7.3014]
_cell_length_c [14.3667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AlHCl3]
_chemical_formula_sum '[Al4 H4 Cl12]'
_cell_volume [646.6441]
_cell_formula_units_Z [4]
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  4  0.0623  0.1723  0.9453  1
  H  H1  4  0.2397  0.1846  0.8727  1
  Cl  Cl2  4  0.1564  0.7306  0.7099  1
  Cl  Cl3  4  0.1692  0.6235  0.4766  1
  Cl  Cl4  4  0.2930  0.1402  0.5456  1
]