data_[Na3Tl3Cd9Hg18]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [11.0037]
_cell_length_b [11.0037]
_cell_length_c [8.8551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaTl(CdHg2)3]
_chemical_formula_sum '[Na3 Tl3 Cd9 Hg18]'
_cell_volume [928.5340]
_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  0.0975  1.0
  Tl  Tl1  3  0.0000  0.0000  0.4899  1.0
  Cd  Cd2  9  0.0863  0.3735  0.9761  1.0
  Hg  Hg3  9  0.0373  0.6242  0.8777  1.0
  Hg  Hg4  9  0.1947  0.0894  0.8072  1.0
]