data_[Tb20Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/ncc]
_cell_length_a [11.2046]
_cell_length_b [11.2046]
_cell_length_c [6.4006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [130]
_chemical_formula_structural [Tb5Pd3]
_chemical_formula_sum '[Tb20 Pd12]'
_cell_volume [803.5427]
_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
[
  Tb  Tb0  16  0.0897  0.2913  0.1291  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.1551  0.1551  0.7500  1
  Pd  Pd3  4  0.0000  0.5000  0.3878  1
]