data_[Cd8Hg4I24]
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 [15.6963]
_cell_length_b [16.1027]
_cell_length_c [7.5094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd2HgI6]
_chemical_formula_sum '[Cd8 Hg4 I24]'
_cell_volume [1738.2843]
_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  8  0.2090  0.4192  0.3602  1.0
  Hg  Hg1  4  0.0000  0.2008  0.2500  1.0
  I  I2  8  0.1022  0.0944  0.5778  1.0
  I  I3  8  0.1201  0.2832  0.1113  1.0
  I  I4  8  0.1519  0.4240  0.6693  1.0
]