data_AlCdAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   5.47
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdAs2
_chemical_formula_sum   'Al1 Cd1 As2'
_cell_volume   81.3
_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  0.71  0.0  0.19  1.0
  Cd  Cd3  1  0.19  0.73  0.83  1.0
  As  As1  1  0.6  0.73  0.26  1.0
  As  As2  1  0.02  0.0  0.83  1.0

data_AlCdAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.84
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdAs2
_chemical_formula_sum   'Al1 Cd1 As2'
_cell_volume   81.3
_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  0.29  0.81  0.0  1.0
  Cd  Cd1  1  0.81  0.17  0.27  1.0
  As  As2  1  0.4  0.74  0.27  1.0
  As  As3  1  0.98  0.17  0.0  1.0

Al Cd As As
CdAlAs2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CdAlAs2 cluster. Cd(1) is bonded in a distorted single-bond geometry to one As(2) atom. The Cd(1)-As(2) bond length is 1.55 Å. Al(1) is bonded in a distorted water-like geometry to one As(1) and one As(2) atom. The Al(1)-As(1) bond length is 1.53 Å. The Al(1)-As(2) bond length is 1.99 Å. 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) atom. In the second As site, As(2) is bonded in a distorted water-like geometry to one Cd(1) and one Al(1) atom.