data_[Tl6Cd1Hg8]
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 [P-3]
_cell_length_a [9.7784]
_cell_length_b [9.7784]
_cell_length_c [5.5151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Tl6CdHg8]
_chemical_formula_sum '[Tl6 Cd1 Hg8]'
_cell_volume [456.6879]
_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
[
  Tl  Tl0  6  0.1068  0.6409  0.2830  1.0
  Cd  Cd1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  6  0.0479  0.7742  0.7976  1.0
  Hg  Hg3  2  0.3333  0.6667  0.7915  1.0
]