data_[Tl12Sn4Pb8]
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 [C2/m]
_cell_length_a [18.3887]
_cell_length_b [3.4416]
_cell_length_c [13.7522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3SnPb2]
_chemical_formula_sum '[Tl12 Sn4 Pb8]'
_cell_volume [756.8115]
_cell_formula_units_Z [4]
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  0.0420  0.0000  0.2166  1.0
  Tl  Tl1  4  0.1046  0.5000  0.0348  1.0
  Tl  Tl2  4  0.2465  0.5000  0.2994  1.0
  Sn  Sn3  4  0.0608  0.5000  0.6331  1.0
  Pb  Pb4  4  0.1460  0.5000  0.4618  1.0
  Pb  Pb5  4  0.1757  0.0000  0.8778  1.0
]