data_[Hf2Cu12Pd4]
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 [5.0117]
_cell_length_b [12.9241]
_cell_length_c [4.2678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf(Cu3Pd)2]
_chemical_formula_sum '[Hf2 Cu12 Pd4]'
_cell_volume [251.8812]
_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  2  0.0000  0.0000  0.0000  1
  Cu  Cu1  8  0.1417  0.3304  0.8237  1
  Cu  Cu2  4  0.1218  0.5000  0.3100  1
  Pd  Pd3  4  0.0000  0.1504  0.5000  1
]