data_Hf3Au2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.29
_cell_length_b   11.29
_cell_length_c   11.29
_cell_angle_alpha   16.93
_cell_angle_beta   16.93
_cell_angle_gamma   16.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Au2
_chemical_formula_sum   'Hf3 Au2'
_cell_volume   106.44
_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  0.0  0.0  0.0  1.0
  Hf  Hf3  1  0.0  0.0  0.75  1.0
  Hf  Hf4  1  0.0  0.0  0.63  1.0
  Au  Au0  1  0.0  0.0  0.24  1.0
  Au  Au1  1  0.0  0.0  0.14  1.0

data_Hf3Au2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   3.32
_cell_length_c   11.29
_cell_angle_alpha   90.0
_cell_angle_beta   99.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf3Au2
_chemical_formula_sum   'Hf6 Au4'
_cell_volume   212.88
_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
  Hf  Hf1  2  0.0  0.0  0.37  1.0
  Hf  Hf2  2  0.0  0.0  0.25  1.0
  Au  Au3  2  0.0  0.0  0.76  1.0
  Au  Au4  2  0.0  0.0  0.86  1.0

Hf Hf Hf Au Au