data_[Na4Li4Tl8Br16]
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 [Imma]
_cell_length_a [8.8740]
_cell_length_b [8.9798]
_cell_length_c [12.5881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaLi(TlBr2)2]
_chemical_formula_sum '[Na4 Li4 Tl8 Br16]'
_cell_volume [1003.1029]
_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
[
  Na  Na0  4  0.0000  0.0000  0.5000  1.0
  Li  Li1  4  0.2500  0.2500  0.7500  1.0
  Tl  Tl2  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  4  0.2500  0.2500  0.2500  1.0
  Br  Br4  8  0.0000  0.0329  0.7397  1.0
  Br  Br5  8  0.2281  0.2500  0.5197  1.0
]