data_[Cd4Cl8]
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 [P-3m1]
_cell_length_a [3.9002]
_cell_length_b [3.9002]
_cell_length_c [25.2369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CdCl2]
_chemical_formula_sum '[Cd4 Cl8]'
_cell_volume [332.4653]
_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  2  0.3333  0.6667  0.7500  1
  Cd  Cd1  1  0.0000  0.0000  0.0000  1
  Cd  Cd2  1  0.0000  0.0000  0.5000  1
  Cl  Cl3  2  0.0000  0.0000  0.1927  1
  Cl  Cl4  2  0.3333  0.6667  0.0572  1
  Cl  Cl5  2  0.3333  0.6667  0.5572  1
  Cl  Cl6  2  0.3333  0.6667  0.3071  1
]