data_Hf(AlCd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   144.75
_cell_angle_beta   144.75
_cell_angle_gamma   50.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf(AlCd)2
_chemical_formula_sum   'Hf1 Al2 Cd2'
_cell_volume   101.48
_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  Hf4  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.04  0.05  1.0
  Al  Al1  1  0.04  0.0  0.05  1.0
  Cd  Cd2  1  0.0  0.0  0.4  1.0
  Cd  Cd3  1  0.0  0.0  0.79  1.0

data_Hf(AlCd)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   115.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf(AlCd)2
_chemical_formula_sum   'Hf2 Al4 Cd4'
_cell_volume   202.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Al  Al1  4  0.03  0.02  0.0  1.0
  Cd  Cd2  2  0.29  0.5  0.79  1.0
  Cd  Cd3  2  0.4  0.0  0.4  1.0

Hf Al Al Cd Cd