data_Na2AlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   130.41
_cell_angle_beta   130.41
_cell_angle_gamma   72.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlSb
_chemical_formula_sum   'Na2 Al1 Sb1'
_cell_volume   99.94
_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  Na1  1  0.0  0.35  0.26  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.52  1.0
  Sb  Sb3  1  0.35  0.0  0.26  1.0

data_Na2AlSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   5.61
_cell_angle_alpha   114.79
_cell_angle_beta   114.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlSb
_chemical_formula_sum   'Na2 Al1 Sb1'
_cell_volume   99.94
_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  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.09  0.35  0.09  1.0
  Al  Al2  1  0.48  0.0  0.48  1.0
  Sb  Sb3  1  0.74  0.0  0.09  1.0

Na Na Al Sb
Na Na Al Sb 0 1 o o o 0 2 o o o 0 2 o o - 0 2 o + o 1 3 o o o 1 2 o o o 1 2 o o - 2 3 - o o 2 3 o o o 2 3 o o + 
Na2AlSb crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 2-coordinate geometry to one Na(2) and three equivalent Al(1) atoms. The Na(1)-Na(2) bond length is 1.51 Å. There are a spread of Na(1)-Al(1) bond distances ranging from 2.91-3.25 Å. In the second Na site, Na(2) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Al(1), and one Sb(1) atom. There is one shorter (2.71 Å) and one longer (2.90 Å) Na(2)-Al(1) bond length. The Na(2)-Sb(1) bond length is 1.51 Å. Al(1) is bonded in a 8-coordinate geometry to two equivalent Na(2), three equivalent Na(1), and three equivalent Sb(1) atoms. There are a spread of Al(1)-Sb(1) bond distances ranging from 2.91-3.25 Å. Sb(1) is bonded in a single-bond geometry to one Na(2) and three equivalent Al(1) atoms.