data_[Hf8Cu12Pd4]
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 [Imma]
_cell_length_a [4.3207]
_cell_length_b [11.6801]
_cell_length_c [7.5389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Hf2Cu3Pd]
_chemical_formula_sum '[Hf8 Cu12 Pd4]'
_cell_volume [380.4577]
_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  0.0000  0.1240  0.4978  1
  Cu  Cu1  8  0.0000  0.0030  0.8336  1
  Cu  Cu2  4  0.0000  0.2500  0.8172  1
  Pd  Pd3  4  0.0000  0.2500  0.1487  1
]