data_Cd2TeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   3.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TeBr
_chemical_formula_sum   'Cd2 Te1 Br1'
_cell_volume   105.75
_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  Cd1  1  0.0  0.68  0.85  1.0
  Cd  Cd2  1  0.68  0.0  0.85  1.0
  Te  Te3  1  0.68  0.68  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Cd2TeBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   3.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2TeBr
_chemical_formula_sum   'Cd4 Te2 Br2'
_cell_volume   211.5
_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  4  0.34  0.34  0.85  1.0
  Te  Te1  2  0.18  0.5  -0.0  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

Cd Cd Te Br
Cd2TeBr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Cd2TeBr clusters. Cd(1) is bonded in an L-shaped geometry to one Te(1) and one Br(1) atom. The Cd(1)-Te(1) bond length is 1.82 Å. The Cd(1)-Br(1) bond length is 1.82 Å. Te(1) is bonded in an L-shaped geometry to two equivalent Cd(1) atoms. Br(1) is bonded in an L-shaped geometry to two equivalent Cd(1) atoms.