data_[Cd3Cu9Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.3695]
_cell_length_b [6.3695]
_cell_length_c [17.6890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Cd(CuCl2)3]
_chemical_formula_sum '[Cd3 Cu9 Cl18]'
_cell_volume [621.4983]
_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  0.1523  1.0
  Cu  Cu1  3  0.0000  0.0000  0.3545  1.0
  Cu  Cu2  3  0.0000  0.0000  0.5932  1.0
  Cu  Cu3  3  0.0000  0.0000  0.8426  1.0
  Cl  Cl4  9  0.0241  0.6858  0.9260  1.0
  Cl  Cl5  9  0.0370  0.3403  0.4265  1.0
]