data_Na2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   8.23
_cell_angle_alpha   107.84
_cell_angle_beta   107.84
_cell_angle_gamma   25.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Al
_chemical_formula_sum   'Na4 Al2'
_cell_volume   165.49
_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  0.46  0.0  0.64  1.0
  Na  Na3  1  0.16  0.0  0.09  1.0
  Na  Na4  1  0.71  0.0  0.17  1.0
  Na  Na5  1  0.01  0.0  0.72  1.0
  Al  Al0  1  0.17  0.0  0.76  1.0
  Al  Al1  1  1.0  0.0  0.05  1.0

data_Na2Al
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.08
_cell_length_b   7.05
_cell_length_c   8.23
_cell_angle_alpha   107.84
_cell_angle_beta   90.0
_cell_angle_gamma   102.63
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na2Al
_chemical_formula_sum   'Na4 Al2'
_cell_volume   165.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.13  0.26  1.0
  Na  Na1  2  0.0  0.42  0.82  1.0
  Al  Al2  2  0.0  0.41  0.15  1.0

Na Na Na Na Al Al