data_[Cd3In6Pb3I18]
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
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.4286]
_cell_length_b [8.4286]
_cell_length_c [21.7021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CdIn2PbI6]
_chemical_formula_sum '[Cd3 In6 Pb3 I18]'
_cell_volume [1335.1891]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3203  1.0
  In  In1  3  0.0000  0.0000  0.0222  1.0
  In  In2  3  0.0000  0.0000  0.5230  1.0
  Pb  Pb3  3  0.0000  0.0000  0.8207  1.0
  I  I4  9  0.0211  0.6163  0.0761  1.0
  I  I5  9  0.0620  0.3360  0.9157  1.0
]