data_[Tl36Bi3Pb21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.2696]
_cell_length_b [14.2696]
_cell_length_c [11.4209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tl12BiPb7]
_chemical_formula_sum '[Tl36 Bi3 Pb21]'
_cell_volume [2013.9689]
_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  18  0.0031  0.7468  0.0065  1.0
  Tl  Tl1  18  0.0569  0.5405  0.1252  1.0
  Bi  Bi2  3  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  18  0.0750  0.9149  0.7515  1.0
  Pb  Pb4  3  0.0000  0.0000  0.5000  1.0
]