data_[Na2Tl4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6398]
_cell_length_b [9.1519]
_cell_length_c [6.9220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(TlBr4)2]
_chemical_formula_sum '[Na2 Tl4 Br16]'
_cell_volume [900.1139]
_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  1.0
  Tl  Tl1  4  0.1833  0.0000  0.6513  1.0
  Br  Br2  8  0.0798  0.2189  0.7382  1.0
  Br  Br3  4  0.1461  0.5000  0.1278  1.0
  Br  Br4  4  0.1906  0.0000  0.2784  1.0
]