data_AlSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSbAs2
_chemical_formula_sum   'Al1 Sb1 As2'
_cell_volume   82.02
_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  Sb3  1  0.0  0.0  0.53  1.0
  As  As1  1  0.71  0.71  0.38  1.0
  As  As2  1  0.71  0.71  0.67  1.0

data_AlSbAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlSbAs2
_chemical_formula_sum   'Al2 Sb2 As4'
_cell_volume   164.04
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Sb  Sb1  2  0.0  0.0  0.53  1.0
  As  As2  2  0.21  0.5  0.38  1.0
  As  As3  2  0.21  0.5  0.67  1.0

Al Sb As As
AlSbAs2 crystallizes in the monoclinic Cm space group. Al(1) is bonded in a bent 120 degrees geometry to one As(1) and one As(2) atom. The Al(1)-As(1) bond length is 3.03 Å. The Al(1)-As(2) bond length is 2.73 Å. Sb(1) is bonded in a 2-coordinate geometry to one As(1) and three equivalent As(2) atoms. The Sb(1)-As(1) bond length is 1.75 Å. There is one shorter (1.75 Å) and two longer (2.80 Å) Sb(1)-As(2) bond lengths. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted single-bond geometry to one Al(1), one Sb(1), and one As(2) atom. The As(1)-As(2) bond length is 2.04 Å. In the second As site, As(2) is bonded in a 5-coordinate geometry to one Al(1), three equivalent Sb(1), and one As(1) atom.