data_[Na3Tl6Hg3Br18]
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 [R3]
_cell_length_a [7.6709]
_cell_length_b [7.6709]
_cell_length_c [20.8568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaTl2HgBr6]
_chemical_formula_sum '[Na3 Tl6 Hg3 Br18]'
_cell_volume [1062.8539]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3139  1.0
  Tl  Tl1  3  0.0000  0.0000  0.0264  1.0
  Tl  Tl2  3  0.0000  0.0000  0.5132  1.0
  Hg  Hg3  3  0.0000  0.0000  0.8246  1.0
  Br  Br4  9  0.0047  0.6060  0.0833  1.0
  Br  Br5  9  0.0116  0.3085  0.9104  1.0
]