data_[Al4Zn2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2579]
_cell_length_b [11.4005]
_cell_length_c [6.9707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2ZnI8]
_chemical_formula_sum '[Al4 Zn2 I16]'
_cell_volume [1051.5931]
_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  0.1985  0.0000  0.6496  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.0957  0.1735  0.7855  1.0
  I  I3  4  0.1194  0.5000  0.2271  1.0
  I  I4  4  0.1930  0.0000  0.2811  1.0
]