data_[Tl13Pb2]
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 [P-1]
_cell_length_a [6.7507]
_cell_length_b [8.4480]
_cell_length_c [9.3528]
_cell_angle_alpha [63.6423]
_cell_angle_beta [80.8304]
_cell_angle_gamma [85.9476]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl13Pb2]
_chemical_formula_sum '[Tl13 Pb2]'
_cell_volume [471.8285]
_cell_formula_units_Z [1]
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  0.1308  0.4677  0.8014  1.0
  Tl  Tl1  2  0.1977  0.1969  0.2007  1.0
  Tl  Tl2  2  0.2658  0.9330  0.5992  1.0
  Tl  Tl3  2  0.3345  0.6665  0.9995  1.0
  Tl  Tl4  2  0.4040  0.4004  0.3974  1.0
  Tl  Tl5  2  0.4664  0.1323  0.7987  1.0
  Tl  Tl6  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb7  2  0.0654  0.7261  0.4021  1.0
]