data_[Tl24In28Pb64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [15.5765]
_cell_length_b [15.5765]
_cell_length_c [15.5765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Tl6In7Pb16]
_chemical_formula_sum '[Tl24 In28 Pb64]'
_cell_volume [3779.2857]
_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  24  0.0000  0.0000  0.2101  1
  In  In1  24  0.0000  0.2500  0.2500  1
  In  In2  4  0.0000  0.0000  0.5000  1
  Pb  Pb3  32  0.1189  0.1189  0.3811  1
  Pb  Pb4  32  0.1647  0.1647  0.8353  1
]