data_HfNbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.08
_cell_angle_alpha   100.31
_cell_angle_beta   100.31
_cell_angle_gamma   33.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbAu2
_chemical_formula_sum   'Hf1 Nb1 Au2'
_cell_volume   75.03
_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  Hf2  1  0.5  0.0  0.49  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.2  0.0  0.23  1.0
  Au  Au1  1  0.79  0.0  0.76  1.0

data_HfNbAu2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.02
_cell_length_b   5.08
_cell_length_c   5.2
_cell_angle_alpha   100.31
_cell_angle_beta   106.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfNbAu2
_chemical_formula_sum   'Hf1 Nb1 Au2'
_cell_volume   75.03
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.5  0.5  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Au  Au2  2  0.0  0.23  0.2  1.0

Hf Nb Au Au