data_[Al2I4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.7965]
_cell_length_b [7.9377]
_cell_length_c [20.7966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AlI2Cl]
_chemical_formula_sum '[Al2 I4 Cl2]'
_cell_volume [1121.9455]
_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  1  0.6258  0.0000  0.5266  1
  Al  Al1  1  0.6641  0.5000  0.4748  1
  I  I2  2  0.8927  0.2483  0.5175  1
  I  I3  1  0.4707  0.0000  0.6346  1
  I  I4  1  0.6550  0.5000  0.3558  1
  Cl  Cl5  1  0.4031  0.5000  0.5298  1
  Cl  Cl6  1  0.4497  0.0000  0.4433  1
]