data_HfCd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.02
_cell_length_b   10.02
_cell_length_c   10.02
_cell_angle_alpha   18.03
_cell_angle_beta   18.03
_cell_angle_gamma   18.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Au
_chemical_formula_sum   'Hf1 Cd2 Au1'
_cell_volume   84.3
_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  0.0  0.0  0.65  1.0
  Cd  Cd1  1  0.0  0.0  0.1  1.0
  Cd  Cd2  1  0.0  0.0  0.37  1.0
  Au  Au0  1  0.0  0.0  0.25  1.0

data_HfCd2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   3.14
_cell_length_c   10.02
_cell_angle_alpha   90.0
_cell_angle_beta   100.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCd2Au
_chemical_formula_sum   'Hf2 Cd4 Au2'
_cell_volume   168.6
_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  0.35  1.0
  Cd  Cd1  2  0.0  0.0  0.63  1.0
  Cd  Cd2  2  0.0  0.0  0.9  1.0
  Au  Au3  2  0.0  0.0  0.75  1.0

Hf Cd Cd Au