data_Hf2ReAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   143.0
_cell_angle_beta   131.65
_cell_angle_gamma   62.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ReAu
_chemical_formula_sum   'Hf2 Re1 Au1'
_cell_volume   74.96
_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  Hf1  1  0.0  0.0  0.45  1.0
  Hf  Hf2  1  0.0  0.26  0.22  1.0
  Re  Re3  1  0.0  0.0  0.82  1.0
  Au  Au0  1  0.75  0.0  0.42  1.0

data_Hf2ReAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.52
_cell_length_c   5.52
_cell_angle_alpha   114.17
_cell_angle_beta   108.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ReAu
_chemical_formula_sum   'Hf2 Re1 Au1'
_cell_volume   74.96
_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  0.55  0.55  0.55  1.0
  Hf  Hf1  1  0.78  0.04  0.04  1.0
  Re  Re2  1  0.18  0.18  0.18  1.0
  Au  Au3  1  0.33  0.58  0.33  1.0

Hf Hf Re Au