data_[Cs12Cd6Ni6Cl36]
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
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3600]
_cell_length_b [7.3600]
_cell_length_c [36.4115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2CdNiCl6]
_chemical_formula_sum '[Cs12 Cd6 Ni6 Cl36]'
_cell_volume [1708.1299]
_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  6  0.0000  0.0000  0.1257  1.0
  Cs  Cs1  6  0.0000  0.0000  0.2904  1.0
  Cd  Cd2  6  0.0000  0.0000  0.4110  1.0
  Ni  Ni3  3  -0.0000  -0.0000  0.5000  1.0
  Ni  Ni4  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  18  0.0198  0.5099  0.7054  1.0
  Cl  Cl6  18  0.0268  0.5134  0.1268  1.0
]