data_[Hf4Cd4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.5102]
_cell_length_b [3.2515]
_cell_length_c [10.1626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HfCd]
_chemical_formula_sum '[Hf4 Cd4]'
_cell_volume [179.6774]
_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  2  0.2574  0.0000  0.4856  1.0
  Hf  Hf1  2  0.3459  0.5000  0.2477  1.0
  Cd  Cd2  2  0.4140  0.0000  0.9918  1.0
  Cd  Cd3  2  0.4888  0.5000  0.7410  1.0
]