data_[Cd12Cl24]
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 [R3m]
_cell_length_a [3.9101]
_cell_length_b [3.9101]
_cell_length_c [75.9006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CdCl2]
_chemical_formula_sum '[Cd12 Cl24]'
_cell_volume [1004.9623]
_cell_formula_units_Z [12]
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  0.1042  1.0
  Cd  Cd1  3  0.0000  0.0000  0.3540  1.0
  Cd  Cd2  3  0.0000  0.0000  0.5209  1.0
  Cd  Cd3  3  0.0000  0.0000  0.9375  1.0
  Cl  Cl4  3  0.0000  0.0000  0.0017  1.0
  Cl  Cl5  3  0.0000  0.0000  0.1685  1.0
  Cl  Cl6  3  0.0000  0.0000  0.2518  1.0
  Cl  Cl7  3  0.0000  0.0000  0.4185  1.0
  Cl  Cl8  3  0.0000  0.0000  0.6231  1.0
  Cl  Cl9  3  0.0000  0.0000  0.7064  1.0
  Cl  Cl10  3  0.0000  0.0000  0.7899  1.0
  Cl  Cl11  3  0.0000  0.0000  0.8733  1.0
]