data_[Tl36Hg21Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.6565]
_cell_length_b [13.6565]
_cell_length_c [11.0997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl12Hg7Pb]
_chemical_formula_sum '[Tl36 Hg21 Pb3]'
_cell_volume [1792.7627]
_cell_formula_units_Z [3]
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  18  0.0000  0.2622  0.0000  1
  Tl  Tl1  18  0.0647  0.5324  0.1223  1
  Hg  Hg2  18  0.0843  0.1686  0.7597  1
  Hg  Hg3  3  0.0000  0.0000  0.5000  1
  Pb  Pb4  3  0.0000  0.0000  0.0000  1
]