data_HfAl2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   140.7
_cell_angle_beta   131.59
_cell_angle_gamma   64.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Pd
_chemical_formula_sum   'Hf1 Al2 Pd1'
_cell_volume   68.48
_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  0.16  0.08  1.0
  Al  Al0  1  0.0  0.16  0.36  1.0
  Al  Al1  1  0.0  0.0  0.19  1.0
  Pd  Pd3  1  0.0  0.0  0.77  1.0

data_HfAl2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.32
_cell_length_c   5.27
_cell_angle_alpha   114.21
_cell_angle_beta   109.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Pd
_chemical_formula_sum   'Hf1 Al2 Pd1'
_cell_volume   68.48
_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  0.84  0.92  0.92  1.0
  Al  Al1  1  0.0  0.19  0.19  1.0
  Al  Al2  1  0.84  0.2  0.2  1.0
  Pd  Pd3  1  0.0  0.77  0.77  1.0

Hf Al Al Pd