data_[Rb12Tl20Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.6084]
_cell_length_b [16.4770]
_cell_length_c [8.0714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Rb3Tl5Pb2]
_chemical_formula_sum '[Rb12 Tl20 Pb8]'
_cell_volume [1676.8216]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  8  0.2370  0.3714  0.0000  1.0
  Rb  Rb1  4  0.0000  0.0000  0.2500  1.0
  Tl  Tl2  8  0.0000  0.2572  0.2500  1.0
  Tl  Tl3  8  0.1278  0.3783  0.5000  1.0
  Tl  Tl4  4  0.0000  0.5000  0.2500  1.0
  Pb  Pb5  8  0.1341  0.1559  0.0000  1.0
]