data_[Na1Tl2Cd4Hg2]
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 [P3m1]
_cell_length_a [3.5026]
_cell_length_b [3.5026]
_cell_length_c [22.7684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [NaTl2(Cd2Hg)2]
_chemical_formula_sum '[Na1 Tl2 Cd4 Hg2]'
_cell_volume [241.9113]
_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  1  0.0000  0.0000  0.6754  1.0
  Tl  Tl1  1  0.6667  0.3333  0.5545  1.0
  Tl  Tl2  1  0.6667  0.3333  0.7938  1.0
  Cd  Cd3  1  0.0000  0.0000  0.2364  1.0
  Cd  Cd4  1  0.0000  0.0000  0.4418  1.0
  Cd  Cd5  1  0.6667  0.3333  0.1310  1.0
  Cd  Cd6  1  0.6667  0.3333  0.9236  1.0
  Hg  Hg7  1  0.0000  0.0000  0.0278  1.0
  Hg  Hg8  1  0.6667  0.3333  0.3386  1.0
]