data_[Tl18Bi3Pb36]
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 [14.5249]
_cell_length_b [14.5249]
_cell_length_c [10.3730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tl6BiPb12]
_chemical_formula_sum '[Tl18 Bi3 Pb36]'
_cell_volume [1895.2199]
_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  0.0515  0.8342  0.7557  1
  Bi  Bi1  3  0.0000  0.0000  0.0000  1
  Pb  Pb2  18  0.0513  0.8086  0.0872  1
  Pb  Pb3  18  0.0615  0.8312  0.4191  1
]