data_[Cs12Na6W6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  W  2.3600  1.3500  0.7667
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5078]
_cell_length_b [7.5078]
_cell_length_c [37.8153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2NaWCl6]
_chemical_formula_sum '[Cs12 Na6 W6 Cl36]'
_cell_volume [1845.9682]
_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  0.1272  1.0
  Cs  Cs1  6  0.0000  0.0000  0.2916  1.0
  Na  Na2  6  0.0000  0.0000  0.4107  1.0
  W  W3  3  -0.0000  -0.0000  0.5000  1.0
  W  W4  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  18  0.0238  0.5119  0.1288  1.0
  Cl  Cl6  18  0.0247  0.5124  0.7044  1.0
]