data_Cd2CoBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.29
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   96.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoBr
_chemical_formula_sum   'Cd2 Co1 Br1'
_cell_volume   83.44
_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  0.73  0.65  0.25  1.0
  Cd  Cd2  1  0.66  0.65  0.53  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.2  0.0  0.89  1.0

data_Cd2CoBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.29
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   96.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoBr
_chemical_formula_sum   'Cd2 Co1 Br1'
_cell_volume   83.44
_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  Cd0  1  0.66  0.65  0.53  1.0
  Cd  Cd1  1  0.73  0.65  0.25  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.2  0.0  0.89  1.0

Cd Cd Co Br
CoCd2Br crystallizes in the triclinic P1 space group. Co(1) is bonded in a single-bond geometry to one Cd(1) and one Br(1) atom. The Co(1)-Cd(1) bond length is 2.54 Å. The Co(1)-Br(1) bond length is 1.10 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 2-coordinate geometry to one Co(1) and one Cd(2) atom. The Cd(1)-Cd(2) bond length is 2.24 Å. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to one Cd(1), four equivalent Cd(2), and one Br(1) atom. There are two shorter (3.25 Å) and two longer (3.29 Å) Cd(2)-Cd(2) bond lengths. The Cd(2)-Br(1) bond length is 3.35 Å. Br(1) is bonded in a single-bond geometry to one Co(1) and one Cd(2) atom.