data_[Hf4Zr2Cd2]
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 [P-1]
_cell_length_a [5.5671]
_cell_length_b [5.9534]
_cell_length_c [6.3064]
_cell_angle_alpha [73.5478]
_cell_angle_beta [88.7724]
_cell_angle_gamma [62.9994]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hf2ZrCd]
_chemical_formula_sum '[Hf4 Zr2 Cd2]'
_cell_volume [177.1970]
_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  2  0.4572  0.2443  0.0604  1.0
  Hf  Hf1  2  0.4704  0.2471  0.5606  1.0
  Zr  Zr2  2  0.0209  0.7629  0.1893  1.0
  Cd  Cd3  2  0.0444  0.7442  0.6886  1.0
]