data_[Tb12Si8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5806]
_cell_length_b [15.1723]
_cell_length_c [5.6200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tb3Si2Pd3]
_chemical_formula_sum '[Tb12 Si8 Pd12]'
_cell_volume [646.3919]
_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  8  0.0285  0.6089  0.6359  1
  Tb  Tb1  4  0.1667  0.7500  0.1273  1
  Si  Si2  8  0.1211  0.1060  0.8601  1
  Pd  Pd3  8  0.1728  0.5338  0.0963  1
  Pd  Pd4  4  0.1861  0.2500  0.1123  1
]