data_[Ge8I32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pa-3]
_cell_length_a [12.2999]
_cell_length_b [12.2999]
_cell_length_c [12.2999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [205]
_chemical_formula_structural [GeI4]
_chemical_formula_sum '[Ge8 I32]'
_cell_volume [1860.8357]
_cell_formula_units_Z [8]
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
[
  Ge  Ge0  8  0.1308  0.1308  0.1308  1
  I  I1  24  0.0051  0.2499  0.5206  1
  I  I2  8  0.2487  0.2487  0.2487  1
]