data_NaHfAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61
_cell_length_b   8.39
_cell_length_c   2.97
_cell_angle_alpha   84.06
_cell_angle_beta   75.9
_cell_angle_gamma   20.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfAl
_chemical_formula_sum   'Na1 Hf1 Al1'
_cell_volume   65.93
_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  Na2  1  0.61  0.49  0.6  1.0
  Hf  Hf1  1  0.61  0.49  0.76  1.0
  Al  Al0  1  0.61  0.49  0.11  1.0

data_NaHfAl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.21
_cell_length_b   16.47
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   122.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaHfAl
_chemical_formula_sum   'Na2 Hf2 Al2'
_cell_volume   131.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.49  0.0  0.79  1.0
  Hf  Hf1  2  0.49  0.0  0.63  1.0
  Al  Al2  2  0.49  0.0  0.29  1.0

Na Hf Al
Na Hf Al 0 1 o o o 1 2 o o + 