data_CdCuAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   132.13
_cell_angle_beta   132.13
_cell_angle_gamma   70.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuAs2
_chemical_formula_sum   'Cd1 Cu1 As2'
_cell_volume   73.34
_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
  Cd  Cd2  1  0.0  0.09  0.11  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.09  0.0  0.11  1.0
  As  As1  1  0.0  0.0  0.21  1.0

data_CdCuAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.14
_cell_angle_alpha   113.93
_cell_angle_beta   113.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuAs2
_chemical_formula_sum   'Cd1 Cu1 As2'
_cell_volume   73.34
_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
  Cd  Cd0  1  0.98  0.09  0.98  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.79  0.0  0.79  1.0
  As  As3  1  0.89  0.0  0.98  1.0

Cd Cu As As
CuCdAs2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CuCdAs2 cluster. Cu(1) is bonded in a distorted L-shaped geometry to one Cd(1) and one As(1) atom. The Cu(1)-Cd(1) bond length is 0.41 Å. The Cu(1)-As(1) bond length is 0.41 Å. Cd(1) is bonded in a 3-coordinate geometry to one Cu(1), one As(1), and one As(2) atom. The Cd(1)-As(1) bond length is 0.51 Å. The Cd(1)-As(2) bond length is 0.91 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 2-coordinate geometry to one Cu(1), one Cd(1), and one As(2) atom. The As(1)-As(2) bond length is 0.91 Å. In the second As site, As(2) is bonded in a distorted single-bond geometry to one Cd(1) and one As(1) atom.