data_[Tl20Cd4Hg4Pb8]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5274]
_cell_length_b [19.9946]
_cell_length_c [15.4930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl5CdHgPb2]
_chemical_formula_sum '[Tl20 Cd4 Hg4 Pb8]'
_cell_volume [1092.7090]
_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  0.0000  0.0448  0.1391  1.0
  Tl  Tl1  4  0.0000  0.2912  0.3116  1.0
  Tl  Tl2  4  0.0000  0.2920  0.9857  1.0
  Tl  Tl3  4  0.0000  0.3032  0.6474  1.0
  Tl  Tl4  4  0.0000  0.4651  0.3091  1.0
  Cd  Cd5  4  0.0000  0.1257  0.9674  1.0
  Hg  Hg6  4  0.0000  0.4656  0.9892  1.0
  Pb  Pb7  4  0.0000  0.1212  0.3279  1.0
  Pb  Pb8  4  0.0000  0.1263  0.6466  1.0
]