data_HfFeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.87
_cell_length_c   3.04
_cell_angle_alpha   75.9
_cell_angle_beta   74.18
_cell_angle_gamma   29.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeAu
_chemical_formula_sum   'Hf1 Fe1 Au1'
_cell_volume   50.68
_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  0.09  0.22  0.41  1.0
  Fe  Fe1  1  0.09  0.22  0.68  1.0
  Au  Au0  1  0.09  0.22  0.84  1.0

data_HfFeAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   10.97
_cell_length_c   3.04
_cell_angle_alpha   90.0
_cell_angle_beta   133.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfFeAu
_chemical_formula_sum   'Hf2 Fe2 Au2'
_cell_volume   101.36
_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  0.09  0.0  0.5  1.0
  Fe  Fe1  2  0.09  0.0  0.77  1.0
  Au  Au2  2  0.09  0.0  0.93  1.0

Hf Fe Au