data_[Na4Tl4Cd8Br24]
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
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.3916]
_cell_length_b [14.0299]
_cell_length_c [7.5886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaTl(CdBr3)2]
_chemical_formula_sum '[Na4 Tl4 Cd8 Br24]'
_cell_volume [1512.7979]
_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  0.2788  0.2500  1.0
  Tl  Tl1  4  0.0000  0.0960  0.7500  1.0
  Cd  Cd2  8  0.1949  0.4119  0.7806  1.0
  Br  Br3  8  0.1185  0.2680  0.5995  1.0
  Br  Br4  8  0.1216  0.1031  0.1618  1.0
  Br  Br5  8  0.1377  0.4261  0.1038  1.0
]