data_[Na4Tl4Hg8Br24]
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
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.4399]
_cell_length_b [14.0099]
_cell_length_c [7.6585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaTl(HgBr3)2]
_chemical_formula_sum '[Na4 Tl4 Hg8 Br24]'
_cell_volume [1532.8385]
_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  0.2896  0.2500  1.0
  Tl  Tl1  4  0.0000  0.0938  0.7500  1.0
  Hg  Hg2  8  0.1977  0.4067  0.7736  1.0
  Br  Br3  8  0.1177  0.1064  0.1571  1.0
  Br  Br4  8  0.1181  0.2632  0.5925  1.0
  Br  Br5  8  0.1394  0.4264  0.1027  1.0
]