data_Hf3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   116.96
_cell_angle_beta   116.96
_cell_angle_gamma   116.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Cd
_chemical_formula_sum   'Hf3 Cd1'
_cell_volume   87.38
_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  Hf1  1  0.52  0.57  0.03  1.0
  Hf  Hf2  1  0.48  0.57  0.03  1.0
  Hf  Hf3  1  0.0  0.86  0.03  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_Hf3Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   116.96
_cell_angle_beta   100.15
_cell_angle_gamma   100.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Cd
_chemical_formula_sum   'Hf3 Cd1'
_cell_volume   87.38
_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  0.03  0.51  0.46  1.0
  Hf  Hf1  1  0.03  0.55  0.46  1.0
  Hf  Hf2  1  0.03  0.03  0.16  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0

Hf Hf Hf Cd