data_[Cs6Cd6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.4604]
_cell_length_b [7.4604]
_cell_length_c [18.6330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [CsCdCl3]
_chemical_formula_sum '[Cs6 Cd6 Cl18]'
_cell_volume [898.1265]
_cell_formula_units_Z [6]
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
[
  Cs  Cs0  4  0.3333  0.6667  0.0863  1
  Cs  Cs1  2  0.0000  0.0000  0.2500  1
  Cd  Cd2  4  0.3333  0.6667  0.6613  1
  Cd  Cd3  2  0.0000  0.0000  0.0000  1
  Cl  Cl4  12  0.1661  0.3323  0.5815  1
  Cl  Cl5  6  0.0088  0.5044  0.7500  1
]