data_CdMoBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   6.95
_cell_angle_alpha   153.95
_cell_angle_beta   153.95
_cell_angle_gamma   37.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMoBr
_chemical_formula_sum   'Cd1 Mo1 Br1'
_cell_volume   64.5
_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  0.0  0.99  1.0
  Mo  Mo2  1  0.0  0.0  0.61  1.0
  Br  Br0  1  0.0  0.0  0.57  1.0

data_CdMoBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   108.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdMoBr
_chemical_formula_sum   'Cd2 Mo2 Br2'
_cell_volume   129.0
_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  0.49  0.5  0.99  1.0
  Mo  Mo1  2  0.11  0.5  0.61  1.0
  Br  Br2  2  0.07  0.5  0.57  1.0

Cd Mo Br
Cd Mo Br 0 0 + o + 0 0 o + + 0 2 o o o 0 1 o o o 1 2 o o o 
MoCdBr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MoCdBr clusters. Mo(1) is bonded in a single-bond geometry to one Cd(1) and one Br(1) atom. The Mo(1)-Cd(1) bond length is 2.67 Å. The Mo(1)-Br(1) bond length is 0.25 Å. Cd(1) is bonded in a distorted single-bond geometry to one Mo(1) atom. Br(1) is bonded in a single-bond geometry to one Mo(1) atom.