data_[Tl2Cd1Hg6Pb1]
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 [P-1]
_cell_length_a [6.6114]
_cell_length_b [6.6466]
_cell_length_c [6.8373]
_cell_angle_alpha [91.6679]
_cell_angle_beta [91.3107]
_cell_angle_gamma [100.9336]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2CdHg6Pb]
_chemical_formula_sum '[Tl2 Cd1 Hg6 Pb1]'
_cell_volume [294.7527]
_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  2  0.4254  0.9312  0.2521  1.0
  Cd  Cd1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.0718  0.2101  0.6141  1.0
  Hg  Hg3  2  0.1677  0.6904  0.7452  1.0
  Hg  Hg4  2  0.2808  0.4157  0.0752  1.0
  Pb  Pb5  1  0.5000  0.5000  0.5000  1.0
]