data_[Ba8Na4Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9752]
_cell_length_b [5.6811]
_cell_length_c [13.0397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2NaTl2]
_chemical_formula_sum '[Ba8 Na4 Tl8]'
_cell_volume [796.0580]
_cell_formula_units_Z [4]
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  4  0.0023  0.5000  0.6843  1.0
  Ba  Ba1  4  0.1871  0.5000  0.1018  1.0
  Na  Na2  4  0.2146  0.0000  0.3760  1.0
  Tl  Tl3  4  0.0107  0.0000  0.8876  1.0
  Tl  Tl4  4  0.1364  0.0000  0.5887  1.0
]