data_[Na3Tl3B6Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.5959]
_cell_length_b [6.5959]
_cell_length_c [29.2486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [NaTl(BBr4)2]
_chemical_formula_sum '[Na3 Tl3 B6 Br24]'
_cell_volume [1101.9906]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  3  -0.0000  0.0000  0.5000  1.0
  B  B2  6  0.0000  0.0000  0.2464  1.0
  Br  Br3  18  0.0260  0.3908  0.9358  1.0
  Br  Br4  6  0.0000  0.0000  0.1773  1.0
]