data_Na3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   6.74
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Al
_chemical_formula_sum   'Na6 Al2'
_cell_volume   220.53
_cell_formula_units_Z   2
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  0.0  0.0  0.14  1.0
  Na  Na3  1  0.78  0.37  0.75  1.0
  Na  Na4  1  0.78  0.66  0.01  1.0
  Na  Na5  1  0.78  0.07  0.01  1.0
  Na  Na6  1  0.0  0.03  0.89  1.0
  Na  Na7  1  0.0  0.7  0.89  1.0
  Al  Al0  1  0.78  0.0  0.97  1.0
  Al  Al1  1  0.0  0.37  0.92  1.0

data_Na3Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.55
_cell_length_b   5.9
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Al
_chemical_formula_sum   'Na6 Al2'
_cell_volume   220.53
_cell_formula_units_Z   2
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  0.11  0.3  1.0
  Na  Na1  1  0.0  0.11  0.97  1.0
  Na  Na2  1  0.0  0.86  0.0  1.0
  Na  Na3  1  0.22  0.25  0.63  1.0
  Na  Na4  1  0.22  0.99  0.34  1.0
  Na  Na5  1  0.22  0.99  0.93  1.0
  Al  Al6  1  0.0  0.08  0.63  1.0
  Al  Al7  1  0.22  0.03  0.0  1.0

Na Na Na Na Na Na Al Al