data_[Hf2Al3Zn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0370]
_cell_length_b [4.0659]
_cell_length_c [8.0260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Hf2(AlZn)3]
_chemical_formula_sum '[Hf2 Al3 Zn3]'
_cell_volume [131.7383]
_cell_formula_units_Z [1]
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  0.2515  1.0
  Al  Al1  1  0.0000  0.5000  0.5000  1.0
  Al  Al2  1  0.5000  0.0000  0.0000  1.0
  Al  Al3  1  0.5000  0.0000  0.5000  1.0
  Zn  Zn4  2  0.5000  0.5000  0.2487  1.0
  Zn  Zn5  1  0.0000  0.5000  0.0000  1.0
]