data_Hf3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.31
_cell_angle_alpha   104.93
_cell_angle_beta   104.93
_cell_angle_gamma   54.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Cd
_chemical_formula_sum   'Hf6 Cd2'
_cell_volume   176.39
_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  0.5  0.69  0.72  1.0
  Hf  Hf3  1  0.37  0.69  0.32  1.0
  Hf  Hf4  1  0.99  0.48  0.56  1.0
  Hf  Hf5  1  0.44  0.63  0.02  1.0
  Hf  Hf6  1  0.89  0.48  0.48  1.0
  Hf  Hf7  1  0.35  0.73  0.0  1.0
  Cd  Cd0  1  0.92  0.33  0.74  1.0
  Cd  Cd1  1  0.95  0.33  0.3  1.0

data_Hf3Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.45
_cell_length_b   6.01
_cell_length_c   6.31
_cell_angle_alpha   104.93
_cell_angle_beta   90.0
_cell_angle_gamma   117.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Cd
_chemical_formula_sum   'Hf6 Cd2'
_cell_volume   176.39
_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  0.27  0.92  0.0  1.0
  Hf  Hf1  1  0.31  0.8  0.28  1.0
  Hf  Hf2  1  0.31  0.93  0.68  1.0
  Hf  Hf3  1  0.37  0.94  0.98  1.0
  Hf  Hf4  1  0.52  0.54  0.44  1.0
  Hf  Hf5  1  0.52  0.63  0.52  1.0
  Cd  Cd6  1  0.67  0.72  0.7  1.0
  Cd  Cd7  1  0.67  0.75  0.26  1.0

Hf Hf Hf Hf Hf Hf Cd Cd