data_HfCd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Au
_chemical_formula_sum   'Hf1 Cd2 Au1'
_cell_volume   82.82
_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  0.0  1.0
  Cd  Cd1  1  0.51  0.61  0.44  1.0
  Cd  Cd2  1  0.51  0.39  0.44  1.0
  Au  Au0  1  0.01  0.0  0.0  1.0

data_HfCd2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   115.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Au
_chemical_formula_sum   'Hf1 Cd2 Au1'
_cell_volume   82.82
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.44  0.51  0.39  1.0
  Cd  Cd2  1  0.44  0.51  0.61  1.0
  Au  Au3  1  0.0  0.01  0.0  1.0

Hf Cd Cd Au