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 [10.6575]
_cell_length_b [10.6575]
_cell_length_c [9.1352]
_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 [898.5915]
_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  0.0944  1
  Tl  Tl1  3  0.0000  0.0000  0.4910  1
  Cd  Cd2  9  0.0875  0.3741  0.9770  1
  Hg  Hg3  9  0.0375  0.6252  0.8779  1
  Hg  Hg4  9  0.1985  0.0908  0.8068  1
]