data_[Cd9Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.9099]
_cell_length_b [3.9099]
_cell_length_c [56.9041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CdCl2]
_chemical_formula_sum '[Cd9 Cl18]'
_cell_volume [753.3771]
_cell_formula_units_Z [9]
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  6  0.0000  0.0000  0.4436  1.0
  Cd  Cd1  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  6  0.0000  0.0000  0.1356  1.0
  Cl  Cl3  6  0.0000  0.0000  0.2468  1.0
  Cl  Cl4  6  0.0000  0.0000  0.3579  1.0
]