data_Hf5Cd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   91.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Cd3
_chemical_formula_sum   'Hf5 Cd3'
_cell_volume   174.95
_cell_formula_units_Z   1
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  Hf3  1  0.25  0.0  1.0  1.0
  Hf  Hf4  1  0.73  0.0  0.98  1.0
  Hf  Hf5  1  0.21  0.36  0.03  1.0
  Hf  Hf6  1  0.62  0.36  0.85  1.0
  Hf  Hf7  1  0.43  0.36  0.99  1.0
  Cd  Cd0  1  0.13  0.0  0.85  1.0
  Cd  Cd1  1  0.65  0.0  0.96  1.0
  Cd  Cd2  1  0.74  0.36  0.77  1.0

data_Hf5Cd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   91.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Cd3
_chemical_formula_sum   'Hf5 Cd3'
_cell_volume   174.95
_cell_formula_units_Z   1
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  0.21  0.36  0.03  1.0
  Hf  Hf1  1  0.25  0.0  1.0  1.0
  Hf  Hf2  1  0.43  0.36  0.99  1.0
  Hf  Hf3  1  0.62  0.36  0.85  1.0
  Hf  Hf4  1  0.73  0.0  0.98  1.0
  Cd  Cd5  1  0.13  0.0  0.85  1.0
  Cd  Cd6  1  0.65  0.0  0.96  1.0
  Cd  Cd7  1  0.74  0.36  0.77  1.0

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