data_[Tl3Sb21Pb36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.6434]
_cell_length_b [15.6434]
_cell_length_c [9.1523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [TlSb7Pb12]
_chemical_formula_sum '[Tl3 Sb21 Pb36]'
_cell_volume [1939.6522]
_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  0.0000  1.0
  Sb  Sb1  18  0.0014  0.1858  0.8103  1.0
  Sb  Sb2  3  0.0000  0.0000  0.5000  1.0
  Pb  Pb3  18  0.0194  0.7726  0.8542  1.0
  Pb  Pb4  18  0.0880  0.5226  0.1558  1.0
]