data_[Al16Fe4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.5359]
_cell_length_b [5.1896]
_cell_length_c [4.6295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Al8Fe2Pd]
_chemical_formula_sum '[Al16 Fe4 Pd2]'
_cell_volume [324.7037]
_cell_formula_units_Z [2]
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
[
  Al  Al0  4  0.1219  0.8678  0.1957  1
  Al  Al1  4  0.1825  0.1440  0.7319  1
  Al  Al2  4  0.1955  0.6308  0.7435  1
  Al  Al3  2  0.0000  0.2929  0.0000  1
  Al  Al4  2  0.0000  0.5654  0.5000  1
  Fe  Fe5  4  0.1528  0.3959  0.2535  1
  Pd  Pd6  2  0.0000  0.0640  0.5000  1
]