data_HfCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   3.19
_cell_length_c   10.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd
_chemical_formula_sum   'Hf4 Cd4'
_cell_volume   178.81
_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  Hf4  1  0.89  0.0  0.69  1.0
  Hf  Hf5  1  0.89  0.6  0.27  1.0
  Hf  Hf6  1  0.3  0.6  0.52  1.0
  Hf  Hf7  1  0.3  0.0  0.1  1.0
  Cd  Cd0  1  0.89  0.0  0.99  1.0
  Cd  Cd1  1  0.89  0.6  0.95  1.0
  Cd  Cd2  1  0.3  0.6  0.84  1.0
  Cd  Cd3  1  0.3  0.0  0.8  1.0

data_HfCd
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.19
_cell_length_b   3.19
_cell_length_c   10.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   HfCd
_chemical_formula_sum   'Hf4 Cd4'
_cell_volume   178.81
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.2  0.0  0.71  1.0
  Hf  Hf1  2  0.2  0.6  0.13  1.0
  Cd  Cd2  2  0.2  0.0  0.41  1.0
  Cd  Cd3  2  0.2  0.6  0.45  1.0

Hf Hf Hf Hf Cd Cd Cd Cd