data_[Tl4Pd12Pb20]
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 [11.3880]
_cell_length_b [9.6056]
_cell_length_c [10.5930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlPd3Pb5]
_chemical_formula_sum '[Tl4 Pd12 Pb20]'
_cell_volume [993.7911]
_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  0.2365  0.0000  0.2800  1
  Pd  Pd1  4  0.0046  0.0000  0.7134  1
  Pd  Pd2  4  0.0093  0.5000  0.2080  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
  Pd  Pd4  2  0.0000  0.5000  0.5000  1
  Pb  Pb5  8  0.0750  0.2695  0.3891  1
  Pb  Pb6  4  0.0000  0.2946  0.0000  1
  Pb  Pb7  4  0.1973  0.0000  0.6262  1
  Pb  Pb8  4  0.2413  0.0000  0.9749  1
]