data_[Ac8Al16Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.2079]
_cell_length_b [7.2020]
_cell_length_c [6.2258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [AcAl2Pd]
_chemical_formula_sum '[Ac8 Al16 Pd8]'
_cell_volume [726.7302]
_cell_formula_units_Z [8]
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  4  0.1019  0.2500  0.6976  1
  Ac  Ac1  4  0.1347  0.7500  0.5070  1
  Al  Al2  8  0.0484  0.0630  0.1828  1
  Al  Al3  8  0.2099  0.5593  0.0119  1
  Pd  Pd4  4  0.0722  0.7500  0.9935  1
  Pd  Pd5  4  0.1883  0.2500  0.2310  1
]