data_HfPdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPdAu
_chemical_formula_sum   'Hf1 Pd1 Au1'
_cell_volume   54.0
_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  0.67  0.06  1.0
  Pd  Pd2  1  0.0  0.0  0.91  1.0
  Au  Au0  1  0.31  0.34  0.86  1.0

data_HfPdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPdAu
_chemical_formula_sum   'Hf1 Pd1 Au1'
_cell_volume   54.0
_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  0.06  0.0  0.67  1.0
  Pd  Pd1  1  0.91  0.0  0.0  1.0
  Au  Au2  1  0.86  0.31  0.34  1.0

Hf Pd Au
Hf Pd Au 0 1 o + - 1 2 o o o 