data_Cd2AsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   7.35
_cell_angle_alpha   148.5
_cell_angle_beta   148.5
_cell_angle_gamma   45.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2AsBr
_chemical_formula_sum   'Cd2 As1 Br1'
_cell_volume   107.87
_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  0.0  0.78  1.0
  Cd  Cd3  1  0.0  0.99  0.39  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.99  0.0  0.39  1.0

data_Cd2AsBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   112.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2AsBr
_chemical_formula_sum   'Cd4 As2 Br2'
_cell_volume   215.74
_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
  Cd  Cd0  2  0.0  0.0  0.22  1.0
  Cd  Cd1  2  0.5  0.5  0.6  1.0
  As  As2  2  0.0  0.0  0.0  1.0
  Br  Br3  2  0.5  0.5  0.6  1.0

Cd Cd As Br
Cd Cd As Br 0 2 o o + 1 3 - + o 
CdAsCdBr is Cubic alpha N2-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one cadmium hydrogen bromide molecule and one CdAs cluster. In the CdAs cluster, Cd(1) is bonded in a single-bond geometry to one As(1) atom. The Cd(1)-As(1) bond length is 1.60 Å. As(1) is bonded in a single-bond geometry to one Cd(1) atom.