data_[Hf8Zr8Cd4]
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 [C2/c]
_cell_length_a [14.0544]
_cell_length_b [5.6084]
_cell_length_c [5.9432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Zr2Cd]
_chemical_formula_sum '[Hf8 Zr8 Cd4]'
_cell_volume [450.2084]
_cell_formula_units_Z [4]
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  8  0.0999  0.0843  0.4547  1.0
  Zr  Zr1  8  0.1963  0.3956  0.1586  1.0
  Cd  Cd2  4  0.0000  0.4130  0.7500  1.0
]