data_NaBeAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeAl2
_chemical_formula_sum   'Na1 Be1 Al2'
_cell_volume   67.25
_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  0.24  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.41  0.41  0.86  1.0
  Al  Al1  1  0.41  0.41  0.61  1.0

data_NaBeAl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaBeAl2
_chemical_formula_sum   'Na2 Be2 Al4'
_cell_volume   134.51
_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  0.0  0.0  0.24  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Al  Al2  2  0.41  0.0  0.61  1.0
  Al  Al3  2  0.41  0.0  0.86  1.0

Na Be Al Al
Na Be Al Al 0 1 o o o 1 2 - o - 1 2 o - - 1 2 o o - 2 3 o o o 
NaBeAl2 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a single-bond geometry to one Be(1) and one Al(2) atom. The Na(1)-Be(1) bond length is 2.01 Å. The Na(1)-Al(2) bond length is 3.56 Å. Be(1) is bonded in a 1-coordinate geometry to one Na(1) and four equivalent Al(1) atoms. There are a spread of Be(1)-Al(1) bond distances ranging from 1.99-2.62 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to four equivalent Be(1) and one Al(2) atom. The Al(1)-Al(2) bond length is 2.15 Å. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to one Na(1), one Al(1), and four equivalent Al(2) atoms. All Al(2)-Al(2) bond lengths are 2.82 Å.