data_[Tl10Sn8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [12.8098]
_cell_length_b [12.8098]
_cell_length_c [4.8059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Tl5(SnPb)4]
_chemical_formula_sum '[Tl10 Sn8 Pb8]'
_cell_volume [788.6071]
_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  8  0.0403  0.1958  0.5000  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Sn  Sn2  8  0.0697  0.3895  0.0000  1
  Pb  Pb3  8  0.1535  0.7605  0.0000  1
]