data_[Tl2Hg24Pb32]
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 [Cm]
_cell_length_a [11.7923]
_cell_length_b [16.8177]
_cell_length_c [10.2771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl(Hg3Pb4)4]
_chemical_formula_sum '[Tl2 Hg24 Pb32]'
_cell_volume [1673.8693]
_cell_formula_units_Z [2]
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  0.0939  0.5000  0.2876  1
  Hg  Hg1  4  0.0941  0.0941  0.3741  1
  Hg  Hg2  4  0.1862  0.1851  0.1880  1
  Hg  Hg3  4  0.2222  0.4049  0.6260  1
  Hg  Hg4  4  0.2834  0.0915  0.0025  1
  Hg  Hg5  4  0.4988  0.3144  0.8097  1
  Hg  Hg6  2  0.1302  0.5000  0.8198  1
  Hg  Hg7  2  0.3073  0.5000  0.1875  1
  Pb  Pb8  4  0.0122  0.2968  0.3096  1
  Pb  Pb9  4  0.0469  0.3542  0.9991  1
  Pb  Pb10  4  0.2021  0.2018  0.6889  1
  Pb  Pb11  4  0.3331  0.3318  0.9994  1
  Pb  Pb12  4  0.3452  0.3433  0.4009  1
  Pb  Pb13  4  0.4421  0.1544  0.5968  1
  Pb  Pb14  2  0.3114  0.0000  0.7168  1
  Pb  Pb15  2  0.3301  0.0000  0.3374  1
  Pb  Pb16  2  0.4965  0.5000  0.6615  1
  Pb  Pb17  2  0.4980  0.5000  0.9993  1
]