data_[Cd4Hg8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.6976]
_cell_length_b [15.8997]
_cell_length_c [7.6149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd(HgI3)2]
_chemical_formula_sum '[Cd4 Hg8 I24]'
_cell_volume [1744.9962]
_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  0.1923  0.7500  1.0
  Hg  Hg1  8  0.2055  0.4164  0.8742  1.0
  I  I2  8  0.1045  0.0899  0.0743  1.0
  I  I3  8  0.1196  0.2789  0.6162  1.0
  I  I4  8  0.1436  0.4231  0.1727  1.0
]