data_[Na18Th3Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Th  1.3000  1.8000  1.0800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.5263]
_cell_length_b [12.5263]
_cell_length_c [11.9479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na6ThCl12]
_chemical_formula_sum '[Na18 Th3 Cl36]'
_cell_volume [1623.5551]
_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
[
  Na  Na0  18  0.0541  0.2577  0.6391  1
  Th  Th1  3  0.0000  0.0000  0.0000  1
  Cl  Cl2  18  0.0395  0.1979  0.8801  1
  Cl  Cl3  18  0.0516  0.2293  0.3966  1
]