data_[Tl4Pd4Pb12]
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 [Pnma]
_cell_length_a [9.9542]
_cell_length_b [4.7448]
_cell_length_c [12.2773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TlPdPb3]
_chemical_formula_sum '[Tl4 Pd4 Pb12]'
_cell_volume [579.8653]
_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  0.1520  0.2500  0.0006  1.0
  Pd  Pd1  4  0.0728  0.2500  0.6589  1.0
  Pb  Pb2  4  0.0804  0.2500  0.4209  1.0
  Pb  Pb3  4  0.1230  0.7500  0.7956  1.0
  Pb  Pb4  4  0.1483  0.7500  0.1967  1.0
]