data_AlSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   117.09
_cell_angle_beta   117.09
_cell_angle_gamma   117.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSb3
_chemical_formula_sum   'Al1 Sb3'
_cell_volume   101.37
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.03  0.06  1.0
  Sb  Sb2  1  0.38  0.48  0.06  1.0
  Sb  Sb3  1  0.62  0.48  0.06  1.0

data_AlSb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   117.09
_cell_angle_beta   99.94
_cell_angle_gamma   99.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSb3
_chemical_formula_sum   'Al1 Sb3'
_cell_volume   101.37
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.06  0.44  0.58  1.0
  Sb  Sb2  1  0.06  0.69  0.58  1.0
  Sb  Sb3  1  0.06  0.06  0.03  1.0

Al Sb Sb Sb
AlSb3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one AlSb3 cluster. Al(1) is bonded in a single-bond geometry to one Sb(1) and one Sb(2) atom. The Al(1)-Sb(1) bond length is 0.34 Å. The Al(1)-Sb(2) bond length is 2.50 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Al(1) atom. In the second Sb site, Sb(2) is bonded in a distorted water-like geometry to one Al(1) and one Sb(3) atom. The Sb(2)-Sb(3) bond length is 1.53 Å. In the third Sb site, Sb(3) is bonded in a single-bond geometry to one Sb(2) atom.