data_YHfAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.05
_cell_angle_alpha   102.88
_cell_angle_beta   102.88
_cell_angle_gamma   36.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfAu2
_chemical_formula_sum   'Y1 Hf1 Au2'
_cell_volume   86.58
_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
  Y  Y3  1  0.72  0.0  0.89  1.0
  Hf  Hf2  1  0.51  0.0  0.13  1.0
  Au  Au0  1  0.94  0.0  0.82  1.0
  Au  Au1  1  0.38  0.0  0.44  1.0

data_YHfAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.05
_cell_length_c   5.44
_cell_angle_alpha   102.88
_cell_angle_beta   108.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfAu2
_chemical_formula_sum   'Y1 Hf1 Au2'
_cell_volume   86.58
_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
  Y  Y0  1  0.0  0.89  0.72  1.0
  Hf  Hf1  1  0.0  0.13  0.51  1.0
  Au  Au2  1  0.0  0.44  0.38  1.0
  Au  Au3  1  0.0  0.82  0.94  1.0

Y Hf Au Au