data_[Cs2Na4Th2I16]
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
  Th  1.3000  1.8000  1.0800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5379]
_cell_length_b [8.1479]
_cell_length_c [11.0003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsNa2ThI8]
_chemical_formula_sum '[Cs2 Na4 Th2 I16]'
_cell_volume [1301.2788]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1
  Na  Na1  4  0.1734  0.5000  0.2151  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  I  I3  8  0.0021  0.2592  0.7971  1
  I  I4  4  0.2123  0.0000  0.0197  1
  I  I5  4  0.2368  0.5000  0.4888  1
]