data_AlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSb
_chemical_formula_sum   'Al8 Sb8'
_cell_volume   439.83
_cell_formula_units_Z   8
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  0.45  0.65  0.16  1.0
  Al  Al1  1  0.96  0.45  0.16  1.0
  Al  Al2  1  0.65  0.65  0.65  1.0
  Al  Al3  1  0.16  0.45  0.65  1.0
  Al  Al4  1  0.45  0.16  0.96  1.0
  Al  Al5  1  0.96  0.96  0.96  1.0
  Al  Al6  1  0.65  0.16  0.45  1.0
  Al  Al7  1  0.16  0.96  0.45  1.0
  Sb  Sb8  1  0.11  0.11  0.11  1.0
  Sb  Sb9  1  0.7  0.91  0.11  1.0
  Sb  Sb10  1  0.91  0.11  0.7  1.0
  Sb  Sb11  1  0.5  0.91  0.7  1.0
  Sb  Sb12  1  0.11  0.7  0.91  1.0
  Sb  Sb13  1  0.7  0.5  0.91  1.0
  Sb  Sb14  1  0.91  0.7  0.5  1.0
  Sb  Sb15  1  0.5  0.5  0.5  1.0

data_AlSb
_symmetry_space_group_name_H-M   R-3
_cell_length_a   10.75
_cell_length_b   10.75
_cell_length_c   13.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   148
_chemical_formula_structural   AlSb
_chemical_formula_sum   'Al24 Sb24'
_cell_volume   1319.48
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-x+1/3, -y+2/3, -z+2/3'
  9  '-y+1/3, x-y+2/3, z+2/3'
  10  'y+1/3, -x+y+2/3, -z+2/3'
  11  '-x+y+1/3, -x+2/3, z+2/3'
  12  'x-y+1/3, x+2/3, -z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-x+2/3, -y+1/3, -z+1/3'
  15  '-y+2/3, x-y+1/3, z+1/3'
  16  'y+2/3, -x+y+1/3, -z+1/3'
  17  '-x+y+2/3, -x+1/3, z+1/3'
  18  'x-y+2/3, x+1/3, -z+1/3'
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  18  0.03  0.26  0.11  1.0
  Al  Al1  6  0.0  0.0  0.34  1.0
  Sb  Sb2  18  0.01  0.21  0.6  1.0
  Sb  Sb3  6  0.0  0.0  0.2  1.0

Al Al Al Al Al Al Al Al Sb Sb Sb Sb Sb Sb Sb Sb
AlSb is SC16 CuCl, stable at 5GPa structured and crystallizes in the trigonal R-3 space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to one Sb(1) and three equivalent Sb(2) atoms. The Al(1)-Sb(1) bond length is 2.87 Å. There are a spread of Al(1)-Sb(2) bond distances ranging from 2.76-3.23 Å. In the second Al site, Al(2) is bonded in a tetrahedral geometry to one Sb(1) and three equivalent Sb(2) atoms. The Al(2)-Sb(1) bond length is 1.96 Å. All Al(2)-Sb(2) bond lengths are 2.32 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted tetrahedral geometry to one Al(2) and three equivalent Al(1) atoms. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one Al(2) and three equivalent Al(1) atoms.