data_[Hf10Al4Pd24]
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 [C2/m]
_cell_length_a [15.4667]
_cell_length_b [5.4464]
_cell_length_c [9.0468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf5(AlPd6)2]
_chemical_formula_sum '[Hf10 Al4 Pd24]'
_cell_volume [713.3958]
_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  4  0.1477  0.5000  0.8426  1
  Hf  Hf1  4  0.1703  0.5000  0.3330  1
  Hf  Hf2  2  0.0000  0.0000  0.5000  1
  Al  Al3  4  0.0000  0.2488  0.0000  1
  Pd  Pd4  8  0.1667  0.2478  0.5928  1
  Pd  Pd5  8  0.1869  0.2417  0.0987  1
  Pd  Pd6  4  0.0106  0.5000  0.3606  1
  Pd  Pd7  4  0.0785  0.0000  0.2648  1
]