data_[Hf4Zn6Pd6]
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 [P6_3/mcm]
_cell_length_a [7.7820]
_cell_length_b [7.7820]
_cell_length_c [5.5720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Hf2(ZnPd)3]
_chemical_formula_sum '[Hf4 Zn6 Pd6]'
_cell_volume [292.2323]
_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  0.3333  0.6667  0.0000  1
  Zn  Zn1  6  0.0000  0.2964  0.7500  1
  Pd  Pd2  6  0.0000  0.3587  0.2500  1
]