data_[Tl16Cd2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [13.3449]
_cell_length_b [10.0757]
_cell_length_c [5.5893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl8CdHg2]
_chemical_formula_sum '[Tl16 Cd2 Hg4]'
_cell_volume [731.0927]
_cell_formula_units_Z [2]
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
[
  Tl  Tl0  8  0.0810  0.2705  0.7934  1.0
  Tl  Tl1  4  0.1082  0.5000  0.3167  1.0
  Tl  Tl2  4  0.2428  0.0000  0.1003  1.0
  Cd  Cd3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.1292  0.0000  0.5261  1.0
]