data_[Tl16In6Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5305]
_cell_length_b [8.5851]
_cell_length_c [6.9070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl8In3Pb2]
_chemical_formula_sum '[Tl16 In6 Pb4]'
_cell_volume [844.7608]
_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  0.1157  0.3133  0.4427  1.0
  Tl  Tl1  4  0.0976  0.5000  0.8943  1.0
  Tl  Tl2  4  0.2040  0.0000  0.7589  1.0
  In  In3  4  0.0000  0.1767  0.0000  1.0
  In  In4  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb5  4  0.1919  0.0000  0.2380  1.0
]