data_[Tl24Hg12Pb4]
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 [Cmc2_1]
_cell_length_a [10.5530]
_cell_length_b [18.8005]
_cell_length_c [6.3048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl6Hg3Pb]
_chemical_formula_sum '[Tl24 Hg12 Pb4]'
_cell_volume [1250.8764]
_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  8  0.1704  0.4541  0.4572  1.0
  Tl  Tl1  8  0.2395  0.7951  0.6755  1.0
  Tl  Tl2  4  0.0000  0.0608  0.1018  1.0
  Tl  Tl3  4  0.0000  0.3035  0.3218  1.0
  Hg  Hg4  8  0.1604  0.0945  0.5594  1.0
  Hg  Hg5  4  0.0000  0.4027  0.8983  1.0
  Pb  Pb6  4  0.0000  0.2170  0.8086  1.0
]