data_NaHfAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfAl2
_chemical_formula_sum   'Na1 Hf1 Al2'
_cell_volume   78.78
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.25  0.0  0.0  1.0
  Al  Al0  1  0.63  0.07  0.47  1.0
  Al  Al1  1  0.63  0.93  0.47  1.0

data_NaHfAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   103.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfAl2
_chemical_formula_sum   'Na1 Hf1 Al2'
_cell_volume   78.78
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.25  0.0  1.0
  Al  Al2  1  0.47  0.63  0.07  1.0
  Al  Al3  1  0.47  0.63  0.93  1.0

Na Hf Al Al
Na Hf Al Al 0 1 o o o 2 3 o - o 