data_[Ac6Tb3Si9Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  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 [R-3m]
_cell_length_a [9.3718]
_cell_length_b [9.3718]
_cell_length_c [13.3596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2Tb(SiPd4)3]
_chemical_formula_sum '[Ac6 Tb3 Si9 Pd36]'
_cell_volume [1016.1825]
_cell_formula_units_Z [3]
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
[
  Ac  Ac0  6  0.0000  0.0000  0.3667  1
  Tb  Tb1  3  0.0000  0.0000  0.0000  1
  Si  Si2  9  0.0000  0.5000  0.5000  1
  Pd  Pd3  18  0.0019  0.5009  0.3221  1
  Pd  Pd4  18  0.0437  0.5218  0.8813  1
]