data_LiCdAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdAs2
_chemical_formula_sum   'Li1 Cd1 As2'
_cell_volume   76.59
_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
  Li  Li3  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.0  0.0  0.06  1.0
  As  As0  1  0.05  0.0  0.87  1.0
  As  As1  1  0.05  0.0  0.25  1.0

data_LiCdAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCdAs2
_chemical_formula_sum   'Li1 Cd1 As2'
_cell_volume   76.59
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.06  1.0
  As  As2  1  0.05  0.0  0.25  1.0
  As  As3  1  0.05  0.0  0.87  1.0

Li Cd As As
Li Cd As As 0 1 o o o 0 2 o o - 1 3 o o o 
LiCdAs2 is Cyanogen Chloride-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiCdAs2 cluster. Li(1) is bonded in a linear geometry to one Cd(1) and one As(1) atom. The Li(1)-Cd(1) bond length is 0.49 Å. The Li(1)-As(1) bond length is 1.06 Å. Cd(1) is bonded in a distorted linear geometry to one Li(1) and one As(2) atom. The Cd(1)-As(2) bond length is 1.55 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a single-bond geometry to one Li(1) atom. In the second As site, As(2) is bonded in a single-bond geometry to one Cd(1) atom.