data_HfWAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.05
_cell_angle_alpha   99.82
_cell_angle_beta   99.82
_cell_angle_gamma   33.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfWAu2
_chemical_formula_sum   'Hf1 W1 Au2'
_cell_volume   72.36
_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
  W  W3  1  0.46  0.0  0.49  1.0
  Au  Au0  1  0.75  0.0  0.69  1.0
  Au  Au1  1  0.17  0.0  0.28  1.0

data_HfWAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.05
_cell_length_c   5.13
_cell_angle_alpha   99.82
_cell_angle_beta   106.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfWAu2
_chemical_formula_sum   'Hf1 W1 Au2'
_cell_volume   72.36
_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  0.0  0.0  1.0
  W  W1  1  0.0  0.49  0.46  1.0
  Au  Au2  1  0.0  0.28  0.17  1.0
  Au  Au3  1  0.0  0.69  0.75  1.0

Hf W Au Au