data_[Tl12Cd4Hg8]
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 [17.8978]
_cell_length_b [3.5170]
_cell_length_c [13.3689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3CdHg2]
_chemical_formula_sum '[Tl12 Cd4 Hg8]'
_cell_volume [718.8490]
_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
[
  Tl  Tl0  4  0.0402  0.0000  0.1506  1.0
  Tl  Tl1  4  0.1686  0.5000  0.0643  1.0
  Tl  Tl2  4  0.2483  0.0000  0.6310  1.0
  Cd  Cd3  4  0.0860  0.5000  0.6222  1.0
  Hg  Hg4  4  0.0859  0.5000  0.3907  1.0
  Hg  Hg5  4  0.1296  0.0000  0.8319  1.0
]