data_[Na4Th2Cl12]
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 [Pnnm]
_cell_length_a [6.6432]
_cell_length_b [7.2158]
_cell_length_c [11.9170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Na2ThCl6]
_chemical_formula_sum '[Na4 Th2 Cl12]'
_cell_volume [571.2489]
_cell_formula_units_Z [2]
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  0.0000  0.5000  0.3183  1
  Th  Th1  2  0.0000  0.0000  0.5000  1
  Cl  Cl2  8  0.2281  0.1600  0.3385  1
  Cl  Cl3  4  0.2136  0.6842  0.5000  1
]