data_[Ba8Na24Tl8]
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/c]
_cell_length_a [19.2305]
_cell_length_b [11.4019]
_cell_length_c [7.4491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaNa3Tl]
_chemical_formula_sum '[Ba8 Na24 Tl8]'
_cell_volume [1599.6493]
_cell_formula_units_Z [8]
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  0.0000  0.0668  0.2500  1.0
  Ba  Ba1  4  0.0000  0.3602  0.7500  1.0
  Na  Na2  8  0.1730  0.1638  0.0747  1.0
  Na  Na3  8  0.1774  0.1665  0.5947  1.0
  Na  Na4  8  0.1854  0.4995  0.5935  1.0
  Tl  Tl5  8  0.0843  0.3423  0.2889  1.0
]