data_HfFeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.89
_cell_angle_alpha   103.0
_cell_angle_beta   103.0
_cell_angle_gamma   37.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeAu2
_chemical_formula_sum   'Hf1 Fe1 Au2'
_cell_volume   69.54
_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  0.78  0.0  0.19  1.0
  Fe  Fe2  1  0.05  0.0  0.42  1.0
  Au  Au0  1  0.02  0.0  0.05  1.0
  Au  Au1  1  0.42  0.0  0.47  1.0

data_HfFeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.89
_cell_length_c   4.93
_cell_angle_alpha   103.0
_cell_angle_beta   108.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeAu2
_chemical_formula_sum   'Hf1 Fe1 Au2'
_cell_volume   69.54
_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  0.19  0.78  1.0
  Fe  Fe1  1  0.0  0.42  0.05  1.0
  Au  Au2  1  0.0  0.05  0.02  1.0
  Au  Au3  1  0.0  0.47  0.42  1.0

Hf Fe Au Au