data_[Hf3Cd3Ni3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.1583]
_cell_length_b [7.1583]
_cell_length_c [3.4735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [HfCdNi]
_chemical_formula_sum '[Hf3 Cd3 Ni3]'
_cell_volume [154.1403]
_cell_formula_units_Z [3]
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  3  0.0000  0.5945  0.5000  1
  Cd  Cd1  3  0.0000  0.2629  0.0000  1
  Ni  Ni2  2  0.3333  0.6667  0.0000  1
  Ni  Ni3  1  0.0000  0.0000  0.5000  1
]