data_[Hf12Al4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [9.0766]
_cell_length_b [9.0766]
_cell_length_c [4.4081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Hf6Al2Pd]
_chemical_formula_sum '[Hf12 Al4 Pd2]'
_cell_volume [363.1602]
_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
[
  Hf  Hf0  8  0.0246  0.6708  0.0000  1
  Hf  Hf1  4  0.1351  0.1351  0.5000  1
  Al  Al2  4  0.2021  0.7979  0.5000  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
]