data_[Cd8Pb4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0856]
_cell_length_b [13.8867]
_cell_length_c [8.0022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd2PbI6]
_chemical_formula_sum '[Cd8 Pb4 I24]'
_cell_volume [1646.9193]
_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  0.1875  0.4198  0.3205  1.0
  Pb  Pb1  4  0.0000  0.1097  0.2500  1.0
  I  I2  8  0.1185  0.0859  0.6369  1.0
  I  I3  8  0.1261  0.4112  0.6329  1.0
  I  I4  8  0.1273  0.2579  0.1146  1.0
]