data_HfW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   4.81
_cell_angle_alpha   100.29
_cell_angle_beta   100.29
_cell_angle_gamma   33.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfW2Au
_chemical_formula_sum   'Hf1 W2 Au1'
_cell_volume   71.0
_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  0.0  1.0
  W  W2  1  0.3  0.0  0.2  1.0
  W  W3  1  0.75  0.0  0.53  1.0
  Au  Au0  1  0.52  0.0  0.36  1.0

data_HfW2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.81
_cell_length_c   5.2
_cell_angle_alpha   100.29
_cell_angle_beta   106.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfW2Au
_chemical_formula_sum   'Hf1 W2 Au1'
_cell_volume   71.0
_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  0.2  0.3  1.0
  W  W2  1  0.0  0.53  0.75  1.0
  Au  Au3  1  0.0  0.36  0.52  1.0

Hf W W Au