data_[Tl9Sn24Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.4122]
_cell_length_b [6.4122]
_cell_length_c [31.0117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tl3Sn8Pb]
_chemical_formula_sum '[Tl9 Sn24 Pb3]'
_cell_volume [1104.2665]
_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  3  0.0000  0.0000  0.3768  1.0
  Tl  Tl1  3  0.0000  0.0000  0.4981  1.0
  Tl  Tl2  3  0.0000  0.0000  0.9996  1.0
  Sn  Sn3  9  0.0007  0.5003  0.4380  1.0
  Sn  Sn4  9  0.1674  0.3348  0.2701  1.0
  Sn  Sn5  3  0.0000  0.0000  0.1872  1.0
  Sn  Sn6  3  0.0000  0.0000  0.6871  1.0
  Pb  Pb7  3  0.0000  0.0000  0.8769  1.0
]