data_[Li2Tl32Pb24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.2213]
_cell_length_b [17.3351]
_cell_length_c [10.5496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li(Tl4Pb3)4]
_chemical_formula_sum '[Li2 Tl32 Pb24]'
_cell_volume [1829.2287]
_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
[
  Li  Li0  2  0.1885  0.5000  0.2851  1
  Tl  Tl1  4  0.0645  0.3425  0.4046  1
  Tl  Tl2  4  0.1597  0.1549  0.5954  1
  Tl  Tl3  4  0.1740  0.1744  0.9962  1
  Tl  Tl4  4  0.2991  0.2947  0.3122  1
  Tl  Tl5  4  0.4556  0.1414  0.0060  1
  Tl  Tl6  4  0.4841  0.2032  0.6884  1
  Tl  Tl7  2  0.0001  0.0000  0.0030  1
  Tl  Tl8  2  0.1446  0.5000  0.6476  1
  Tl  Tl9  2  0.4040  0.0000  0.7205  1
  Tl  Tl10  2  0.4888  0.5000  0.3520  1
  Pb  Pb11  4  0.0054  0.1844  0.1907  1
  Pb  Pb12  4  0.2161  0.4084  0.0052  1
  Pb  Pb13  4  0.2845  0.0948  0.3750  1
  Pb  Pb14  4  0.3104  0.3142  0.8074  1
  Pb  Pb15  4  0.3976  0.4062  0.6138  1
  Pb  Pb16  2  0.1866  0.0000  0.8160  1
  Pb  Pb17  2  0.3855  0.0000  0.1862  1
]