data_[Tl6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.8903]
_cell_length_b [3.5460]
_cell_length_c [6.9342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlPb]
_chemical_formula_sum '[Tl6 Pb6]'
_cell_volume [380.6198]
_cell_formula_units_Z [6]
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  2  0.3020  0.0000  0.1083  1.0
  Tl  Tl1  2  0.3043  0.0000  0.6122  1.0
  Tl  Tl2  2  0.4728  0.5000  0.4435  1.0
  Pb  Pb3  2  0.1368  0.5000  0.7736  1.0
  Pb  Pb4  2  0.1373  0.5000  0.2796  1.0
  Pb  Pb5  2  0.4801  0.5000  0.9494  1.0
]