data_[Tl20Pd12Pb4]
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 [12.0274]
_cell_length_b [9.7588]
_cell_length_c [10.3433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5Pd3Pb]
_chemical_formula_sum '[Tl20 Pd12 Pb4]'
_cell_volume [1014.3344]
_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  8  0.1690  0.2206  0.6635  1
  Tl  Tl1  4  0.0000  0.2824  0.0000  1
  Tl  Tl2  4  0.0712  0.5000  0.3508  1
  Tl  Tl3  4  0.2412  0.0000  0.0226  1
  Pd  Pd4  4  0.1671  0.5000  0.6639  1
  Pd  Pd5  4  0.1704  0.5000  0.1692  1
  Pd  Pd6  2  0.0000  0.0000  0.0000  1
  Pd  Pd7  2  0.0000  0.0000  0.5000  1
  Pb  Pb8  4  0.0918  0.0000  0.3099  1
]