data_Na2LiAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   10.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiAl
_chemical_formula_sum   'Na2 Li1 Al1'
_cell_volume   97.5
_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  0.01  0.0  0.74  1.0
  Na  Na3  1  0.01  0.0  0.82  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.28  1.0

data_Na2LiAl
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.03
_cell_length_b   4.59
_cell_length_c   10.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   Na2LiAl
_chemical_formula_sum   'Na4 Li2 Al2'
_cell_volume   194.99
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.0  0.0  0.18  1.0
  Na  Na1  2  0.0  0.0  0.26  1.0
  Li  Li2  2  0.0  0.0  0.0  1.0
  Al  Al3  2  0.0  0.0  0.72  1.0

Na Na Li Al
Na2LiAl is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Na2LiAl cluster. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a single-bond geometry to one Na(2) atom. The Na(1)-Na(2) bond length is 0.91 Å. In the second Na site, Na(2) is bonded in a linear geometry to one Na(1) and one Li(1) atom. The Na(2)-Li(1) bond length is 1.88 Å. Li(1) is bonded in a distorted linear geometry to one Na(2) and one Al(1) atom. The Li(1)-Al(1) bond length is 2.94 Å. Al(1) is bonded in a single-bond geometry to one Li(1) atom.