data_[Na2Th10S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9841]
_cell_length_b [12.1195]
_cell_length_c [6.9788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTh5S6]
_chemical_formula_sum '[Na2 Th10 S12]'
_cell_volume [557.0611]
_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  2  0.0000  0.0000  0.0000  1
  Th  Th1  4  0.0000  0.1680  0.5000  1
  Th  Th2  4  0.0000  0.3332  0.0000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  S  S4  8  0.2441  0.8370  0.2436  1
  S  S5  4  0.2448  0.0000  0.7531  1
]