data_[Hf4Zn4Cd6]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.3173]
_cell_length_b [20.1528]
_cell_length_c [3.1599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Hf2Zn2Cd3]
_chemical_formula_sum '[Hf4 Zn4 Cd6]'
_cell_volume [274.9252]
_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  0.0000  0.1639  0.0000  1.0
  Zn  Zn1  4  0.0000  0.2836  0.5000  1.0
  Cd  Cd2  4  0.0000  0.4212  0.5000  1.0
  Cd  Cd3  2  0.0000  0.0000  0.0000  1.0
]