data_[Al4Pt2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3233]
_cell_length_b [9.5702]
_cell_length_c [8.2263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2PtI8]
_chemical_formula_sum '[Al4 Pt2 I16]'
_cell_volume [1112.2848]
_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  0.2165  0.0000  0.3285  1.0
  Pt  Pt1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.1114  0.1936  0.1547  1.0
  I  I3  4  0.1162  0.5000  0.7219  1.0
  I  I4  4  0.1938  0.0000  0.6252  1.0
]