data_[Hf32Zn48Ir16]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.7422]
_cell_length_b [12.1061]
_cell_length_c [15.1765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Hf2Zn3Ir]
_chemical_formula_sum '[Hf32 Zn48 Ir16]'
_cell_volume [1606.1870]
_cell_formula_units_Z [16]
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  16  0.0000  0.1219  0.0000  1
  Hf  Hf1  16  0.0000  0.1331  0.5000  1
  Zn  Zn2  32  0.0056  0.2409  0.8319  1
  Zn  Zn3  16  0.0000  0.0000  0.3369  1
  Ir  Ir4  16  0.0000  0.0000  0.1674  1
]