data_[Na4Tl4Zn8Br24]
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
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0614]
_cell_length_b [14.0112]
_cell_length_c [7.1167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaTl(ZnBr3)2]
_chemical_formula_sum '[Na4 Tl4 Zn8 Br24]'
_cell_volume [1384.0407]
_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  0.2952  0.7500  1.0
  Tl  Tl1  4  0.0000  0.1015  0.2500  1.0
  Zn  Zn2  8  0.2021  0.4175  0.2715  1.0
  Br  Br3  8  0.1232  0.2810  0.1146  1.0
  Br  Br4  8  0.1251  0.1004  0.6871  1.0
  Br  Br5  8  0.1484  0.4339  0.5915  1.0
]