data_[Al4Cr2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3090]
_cell_length_b [11.3045]
_cell_length_c [7.1722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2CrI8]
_chemical_formula_sum '[Al4 Cr2 I16]'
_cell_volume [1078.8451]
_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  4  0.2062  0.0000  0.6637  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.0996  0.1725  0.8046  1.0
  I  I3  4  0.1160  0.5000  0.2132  1.0
  I  I4  4  0.1974  0.0000  0.3100  1.0
]