data_[Na8Al36Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1965]
_cell_length_b [7.6073]
_cell_length_c [10.5934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2(Al3Pd)3]
_chemical_formula_sum '[Na8 Al36 Pd12]'
_cell_volume [965.1740]
_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
[
  Na  Na0  8  0.1682  0.4161  0.7488  1
  Al  Al1  8  0.0586  0.4180  0.4245  1
  Al  Al2  8  0.1030  0.0847  0.5605  1
  Al  Al3  8  0.1033  0.1856  0.2484  1
  Al  Al4  8  0.2257  0.0828  0.9298  1
  Al  Al5  4  0.0000  0.1267  0.7500  1
  Pd  Pd6  8  0.0852  0.2544  0.0006  1
  Pd  Pd7  4  0.2500  0.2500  0.5000  1
]