data_[Na4Tl4Cd4Hg16]
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 [C2/m]
_cell_length_a [12.1750]
_cell_length_b [7.1717]
_cell_length_c [9.1014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTlCdHg4]
_chemical_formula_sum '[Na4 Tl4 Cd4 Hg16]'
_cell_volume [794.3441]
_cell_formula_units_Z [4]
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  4  0.0006  0.5000  0.2995  1.0
  Tl  Tl1  4  0.0082  0.0000  0.3196  1.0
  Cd  Cd2  4  0.1197  0.0000  0.0089  1.0
  Hg  Hg3  8  0.2366  0.2466  0.7659  1.0
  Hg  Hg4  4  0.1229  0.5000  0.0059  1.0
  Hg  Hg5  4  0.2122  0.5000  0.4998  1.0
]