data_[Al2Sn4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1071]
_cell_length_b [7.8193]
_cell_length_c [10.6971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al(SnI4)2]
_chemical_formula_sum '[Al2 Sn4 I16]'
_cell_volume [1324.3538]
_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  0.0000  0.0000  0.0000  1
  Sn  Sn1  4  0.2075  0.0000  0.3347  1
  I  I2  8  0.0834  0.2442  0.1391  1
  I  I3  4  0.1428  0.5000  0.7595  1
  I  I4  4  0.2385  0.5000  0.3859  1
]