data_HfAl2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   3.15
_cell_angle_alpha   99.99
_cell_angle_beta   99.99
_cell_angle_gamma   117.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Sb
_chemical_formula_sum   'Hf1 Al2 Sb1'
_cell_volume   81.41
_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  0.87  0.0  0.0  1.0
  Al  Al0  1  0.91  0.39  0.48  1.0
  Al  Al1  1  0.91  0.61  0.48  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_HfAl2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.55
_cell_length_c   5.58
_cell_angle_alpha   115.82
_cell_angle_beta   99.99
_cell_angle_gamma   102.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Sb
_chemical_formula_sum   'Hf1 Al2 Sb1'
_cell_volume   81.41
_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  0.87  1.0
  Al  Al1  1  0.09  0.61  0.52  1.0
  Al  Al2  1  0.87  0.39  0.3  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Hf Al Al Sb