data_[Tl36Sb21Pb3]
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 [16.3637]
_cell_length_b [16.3637]
_cell_length_c [8.4895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tl12Sb7Pb]
_chemical_formula_sum '[Tl36 Sb21 Pb3]'
_cell_volume [1968.6956]
_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  0.0392  0.2733  0.9594  1
  Tl  Tl1  18  0.0615  0.8236  0.3807  1
  Sb  Sb2  18  0.0410  0.8723  0.7417  1
  Sb  Sb3  3  0.0000  0.0000  0.5000  1
  Pb  Pb4  3  0.0000  0.0000  0.0000  1
]