data_Hf3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   6.29
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Cd
_chemical_formula_sum   'Hf6 Cd2'
_cell_volume   176.3
_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  Hf2  1  0.0  0.74  0.04  1.0
  Hf  Hf3  1  0.0  0.55  0.74  1.0
  Hf  Hf4  1  0.6  0.92  0.75  1.0
  Hf  Hf5  1  0.6  0.37  0.44  1.0
  Hf  Hf6  1  0.6  0.77  0.84  1.0
  Hf  Hf7  1  0.6  0.52  0.54  1.0
  Cd  Cd0  1  0.0  0.89  0.36  1.0
  Cd  Cd1  1  0.0  0.4  0.66  1.0

data_Hf3Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.2
_cell_length_b   5.39
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Cd
_chemical_formula_sum   'Hf6 Cd2'
_cell_volume   176.3
_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  1  0.0  0.96  0.26  1.0
  Hf  Hf1  1  0.0  0.26  0.45  1.0
  Hf  Hf2  1  0.4  0.16  0.23  1.0
  Hf  Hf3  1  0.4  0.25  0.08  1.0
  Hf  Hf4  1  0.4  0.46  0.48  1.0
  Hf  Hf5  1  0.4  0.56  0.63  1.0
  Cd  Cd6  1  0.0  0.34  0.6  1.0
  Cd  Cd7  1  0.0  0.64  0.11  1.0

Hf Hf Hf Hf Hf Hf Cd Cd