data_[Ba2Li4Th2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Th  1.3000  1.8000  1.0800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.2236]
_cell_length_b [9.6031]
_cell_length_c [9.3343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [BaLi2ThCl8]
_chemical_formula_sum '[Ba2 Li4 Th2 Cl16]'
_cell_volume [737.1518]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1
  Li  Li1  4  0.0000  0.5000  0.3215  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Cl  Cl3  8  0.2196  0.0000  0.2237  1
  Cl  Cl4  4  0.0000  0.2715  0.0000  1
  Cl  Cl5  4  0.0000  0.3202  0.5000  1
]