data_[Cd8Sn4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0526]
_cell_length_b [13.7649]
_cell_length_c [7.9744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9288]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd2SnI6]
_chemical_formula_sum '[Cd8 Sn4 I24]'
_cell_volume [1622.3089]
_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  0.1880  0.4179  0.3272  1.0
  Sn  Sn1  4  0.0000  0.1071  0.2500  1.0
  I  I2  8  0.1186  0.0889  0.6328  1.0
  I  I3  8  0.1246  0.4117  0.6390  1.0
  I  I4  8  0.1247  0.2536  0.1211  1.0
]