data_[Cd4Ge8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8156]
_cell_length_b [19.0265]
_cell_length_c [6.4056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1521]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd(GeI3)2]
_chemical_formula_sum '[Cd4 Ge8 I24]'
_cell_volume [1498.2409]
_cell_formula_units_Z [4]
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
[
  Cd  Cd0  4  0.0000  0.1805  0.2500  1.0
  Ge  Ge1  8  0.1404  0.4072  0.5973  1.0
  I  I2  8  0.1277  0.0848  0.1309  1.0
  I  I3  8  0.1286  0.4163  0.1513  1.0
  I  I4  8  0.1375  0.2586  0.6513  1.0
]