data_[Tl4Pd12Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9696]
_cell_length_b [4.2346]
_cell_length_c [8.9145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Pd6Pb]
_chemical_formula_sum '[Tl4 Pd12 Pb2]'
_cell_volume [331.5232]
_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  0.1982  0.5000  0.7576  1.0
  Pd  Pd1  4  0.0177  0.0000  0.8373  1.0
  Pd  Pd2  4  0.1529  0.5000  0.0573  1.0
  Pd  Pd3  4  0.1620  0.5000  0.3935  1.0
  Pb  Pb4  2  0.0000  0.0000  0.5000  1.0
]