data_HfAl2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   3.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Sb
_chemical_formula_sum   'Hf1 Al2 Sb1'
_cell_volume   80.56
_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  0.92  0.0  0.0  1.0
  Al  Al0  1  0.46  0.18  0.58  1.0
  Al  Al1  1  0.46  0.82  0.58  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   3.16
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   112.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAl2Sb
_chemical_formula_sum   'Hf1 Al2 Sb1'
_cell_volume   80.56
_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  0.92  0.0  1.0
  Al  Al1  1  0.58  0.46  0.82  1.0
  Al  Al2  1  0.58  0.46  0.18  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Hf Al Al Sb