data_[Hf6Zr3Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.1984]
_cell_length_b [3.1984]
_cell_length_c [30.6364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Hf2ZrCd]
_chemical_formula_sum '[Hf6 Zr3 Cd3]'
_cell_volume [271.4198]
_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  0.0000  0.2521  1.0
  Hf  Hf1  3  0.0000  0.0000  0.6655  1.0
  Zr  Zr2  3  0.0000  0.0000  0.5020  1.0
  Cd  Cd3  3  0.0000  0.0000  0.0834  1.0
]