data_[Tl2Cd14Hg8]
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 [13.0314]
_cell_length_b [5.7622]
_cell_length_c [10.7865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.7605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlCd7Hg4]
_chemical_formula_sum '[Tl2 Cd14 Hg8]'
_cell_volume [648.8899]
_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  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  4  0.0947  0.0000  0.4327  1.0
  Cd  Cd2  4  0.1962  0.5000  0.9073  1.0
  Cd  Cd3  4  0.2178  0.5000  0.6538  1.0
  Cd  Cd4  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg5  4  0.0915  0.5000  0.3238  1.0
  Hg  Hg6  4  0.1908  0.0000  0.7654  1.0
]