data_[Hf4Zn4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4961]
_cell_length_b [3.6078]
_cell_length_c [6.3672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfZnPd]
_chemical_formula_sum '[Hf4 Zn4 Pd4]'
_cell_volume [204.8022]
_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  4  0.0152  0.0000  0.2596  1.0
  Zn  Zn1  4  0.1797  0.5000  0.0777  1.0
  Pd  Pd2  4  0.1679  0.5000  0.6017  1.0
]