data_Cr2CdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CdBr
_chemical_formula_sum   'Cr2 Cd1 Br1'
_cell_volume   75.41
_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
  Cr  Cr2  1  0.0  0.0  0.53  1.0
  Cr  Cr3  1  0.55  0.55  0.56  1.0
  Cd  Cd1  1  0.55  0.55  0.58  1.0
  Br  Br0  1  0.0  0.0  0.17  1.0

data_Cr2CdBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2CdBr
_chemical_formula_sum   'Cr4 Cd2 Br2'
_cell_volume   150.83
_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
  Cr  Cr0  2  0.0  0.0  0.53  1.0
  Cr  Cr1  2  0.05  0.5  0.56  1.0
  Cd  Cd2  2  0.05  0.5  0.58  1.0
  Br  Br3  2  0.0  0.0  0.17  1.0

Cr Cr Cd Br
Cr Cr Cd Br 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 3 o o o 1 2 o o o 3 3 + o o 3 3 o + o 
CdCrCrBr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CdCr clusters and two CrBr clusters. In each CdCr cluster, Cr(2) is bonded in a single-bond geometry to one Cd(1) atom. The Cr(2)-Cd(1) bond length is 0.12 Å. Cd(1) is bonded in a single-bond geometry to one Cr(2) atom. In each CrBr cluster, Cr(1) is bonded in a distorted single-bond geometry to one Br(1) atom. The Cr(1)-Br(1) bond length is 2.81 Å. Br(1) is bonded in a single-bond geometry to one Cr(1) atom.