data_[Hf8Cu2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5714]
_cell_length_b [3.2009]
_cell_length_c [5.4494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2576]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf4CuPd]
_chemical_formula_sum '[Hf8 Cu2 Pd2]'
_cell_volume [236.8732]
_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  0.1601  0.5000  0.9976  1
  Hf  Hf1  4  0.1604  0.0000  0.4914  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Pd  Pd3  2  0.0000  0.5000  0.5000  1
]