data_[Ge9I18]
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 [R-3m]
_cell_length_a [4.2966]
_cell_length_b [4.2966]
_cell_length_c [66.3186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [GeI2]
_chemical_formula_sum '[Ge9 I18]'
_cell_volume [1060.2699]
_cell_formula_units_Z [9]
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  6  0.0000  0.0000  0.4445  1
  Ge  Ge1  3  0.0000  0.0000  0.0000  1
  I  I2  6  0.0000  0.0000  0.1376  1
  I  I3  6  0.0000  0.0000  0.2487  1
  I  I4  6  0.0000  0.0000  0.3598  1
]