data_HfCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   10.14
_cell_length_c   5.51
_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   174.86
_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  0.0  0.16  0.07  1.0
  Hf  Hf5  1  0.56  0.98  0.83  1.0
  Hf  Hf6  1  0.56  0.68  0.86  1.0
  Hf  Hf7  1  0.0  0.46  0.62  1.0
  Cd  Cd0  1  0.0  0.03  0.49  1.0
  Cd  Cd1  1  0.56  0.11  0.74  1.0
  Cd  Cd2  1  0.56  0.68  0.92  1.0
  Cd  Cd3  1  0.0  0.47  0.67  1.0

data_HfCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.51
_cell_length_c   10.14
_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   174.86
_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  1  -0.0  0.93  0.84  1.0
  Hf  Hf1  1  -0.0  0.38  0.54  1.0
  Hf  Hf2  1  0.44  0.14  0.32  1.0
  Hf  Hf3  1  0.44  0.17  0.02  1.0
  Cd  Cd4  1  -0.0  0.51  0.97  1.0
  Cd  Cd5  1  -0.0  0.33  0.53  1.0
  Cd  Cd6  1  0.44  0.08  0.32  1.0
  Cd  Cd7  1  0.44  0.26  0.89  1.0

Hf Hf Hf Hf Cd Cd Cd Cd
Hf Hf Hf Hf Cd Cd Cd Cd 0 5 - o - 0 5 o o - 0 1 - - - 0 1 o - - 0 4 o o o 1 5 o + o 1 4 + + o 1 4 o + o 2 6 o o o 3 7 o o o 4 5 - o o 4 5 o o o 