data_[Na12W12Cl52]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [9.2125]
_cell_length_b [25.7504]
_cell_length_c [9.3474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3W3Cl13]
_chemical_formula_sum '[Na12 W12 Cl52]'
_cell_volume [1911.8847]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.0496  0.1064  0.3147  1
  Na  Na1  4  0.2231  0.2499  0.1501  1
  Na  Na2  4  0.3949  0.1068  0.9878  1
  W  W3  4  0.1056  0.6310  0.8521  1
  W  W4  4  0.2781  0.6302  0.6829  1
  W  W5  4  0.4491  0.6314  0.0243  1
  Cl  Cl6  4  0.0725  0.6789  0.4488  1
  Cl  Cl7  4  0.0732  0.5657  0.6521  1
  Cl  Cl8  4  0.0759  0.6818  0.0513  1
  Cl  Cl9  4  0.1218  0.0773  0.6512  1
  Cl  Cl10  4  0.1293  0.1830  0.8524  1
  Cl  Cl11  4  0.2767  0.7022  0.8502  1
  Cl  Cl12  4  0.2777  0.5667  0.0566  1
  Cl  Cl13  4  0.2792  0.5741  0.4637  1
  Cl  Cl14  4  0.3165  0.1838  0.4452  1
  Cl  Cl15  4  0.3226  0.0787  0.2504  1
  Cl  Cl16  4  0.4762  0.6823  0.2520  1
  Cl  Cl17  4  0.4834  0.5662  0.8580  1
  Cl  Cl18  4  0.4834  0.6792  0.6549  1
]