data_[Na2Li2Tl4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [10.0383]
_cell_length_b [10.0383]
_cell_length_c [8.8236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [NaLi(TlBr4)2]
_chemical_formula_sum '[Na2 Li2 Tl4 Br16]'
_cell_volume [889.1256]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1
  Li  Li1  2  0.0000  0.5000  0.2500  1
  Tl  Tl2  2  0.0000  0.0000  0.5000  1
  Tl  Tl3  2  0.0000  0.5000  0.7500  1
  Br  Br4  8  0.0000  0.1974  0.3032  1
  Br  Br5  8  0.0000  0.3094  0.9546  1
]