data_[Cd4In8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.2360]
_cell_length_b [15.3053]
_cell_length_c [10.9371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.0392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd(InI3)2]
_chemical_formula_sum '[Cd4 In8 I24]'
_cell_volume [2240.9971]
_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  0.1629  0.2500  1
  In  In1  8  0.1634  0.4356  0.5385  1
  I  I2  8  0.1166  0.0539  0.2097  1
  I  I3  8  0.1261  0.4847  0.2449  1
  I  I4  8  0.1266  0.2465  0.5468  1
]