data_[Tl10Pb12]
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 [C2/m]
_cell_length_a [9.8615]
_cell_length_b [13.4223]
_cell_length_c [5.9093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5Pb6]
_chemical_formula_sum '[Tl10 Pb12]'
_cell_volume [707.1763]
_cell_formula_units_Z [2]
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  4  0.0000  0.2227  0.5000  1.0
  Tl  Tl1  4  0.0000  0.3637  0.0000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb3  8  0.1861  0.1330  0.1345  1.0
  Pb  Pb4  4  0.1875  0.0000  0.6395  1.0
]