data_[Tl2Pb2]
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 [P2_1/m]
_cell_length_a [3.4669]
_cell_length_b [5.7464]
_cell_length_c [6.4121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlPb]
_chemical_formula_sum '[Tl2 Pb2]'
_cell_volume [126.0955]
_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  2  0.4147  0.7500  0.1451  1.0
  Pb  Pb1  2  0.0306  0.2500  0.3635  1.0
]