data_[Na3Tl2Cd4Hg2]
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 [P-3m1]
_cell_length_a [5.1917]
_cell_length_b [5.1917]
_cell_length_c [12.9105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na3Tl2(Cd2Hg)2]
_chemical_formula_sum '[Na3 Tl2 Cd4 Hg2]'
_cell_volume [301.3606]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2602  1.0
  Na  Na1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.3333  0.6667  0.3980  1.0
  Cd  Cd3  2  0.3333  0.6667  0.1264  1.0
  Cd  Cd4  2  0.3333  0.6667  0.6381  1.0
  Hg  Hg5  2  0.3333  0.6667  0.8759  1.0
]