data_[Hf12Ag8Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2301]
_cell_length_b [9.8009]
_cell_length_c [4.9754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf3(AgPd2)2]
_chemical_formula_sum '[Hf12 Ag8 Pd16]'
_cell_volume [636.0457]
_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
[
  Hf  Hf0  8  0.1652  0.1195  0.0883  1
  Hf  Hf1  4  0.0000  0.3617  0.2500  1
  Ag  Ag2  8  0.1113  0.3779  0.7986  1
  Pd  Pd3  8  0.0561  0.1238  0.5299  1
  Pd  Pd4  8  0.2216  0.3705  0.3495  1
]