data_Cd2OsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.43
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   97.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2OsBr
_chemical_formula_sum   'Cd2 Os1 Br1'
_cell_volume   84.42
_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  0.69  0.71  0.22  1.0
  Cd  Cd2  1  0.52  0.71  0.46  1.0
  Os  Os3  1  0.11  0.0  0.84  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Cd2OsBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.43
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   97.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2OsBr
_chemical_formula_sum   'Cd2 Os1 Br1'
_cell_volume   84.42
_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  0.52  0.71  0.46  1.0
  Cd  Cd1  1  0.69  0.71  0.22  1.0
  Os  Os2  1  0.11  0.0  0.84  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Cd Cd Os Br
Cd Cd Os Br 0 1 o o o 0 3 + + o 2 3 o o + 
OsCd2Br crystallizes in the triclinic P1 space group. Os(1) is bonded in a single-bond geometry to two equivalent Cd(2) and one Br(1) atom. There is one shorter (3.44 Å) and one longer (3.53 Å) Os(1)-Cd(2) bond length. The Os(1)-Br(1) bond length is 1.31 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 1-coordinate geometry to two equivalent Cd(2) and one Br(1) atom. There is one shorter (1.98 Å) and one longer (3.03 Å) Cd(1)-Cd(2) bond length. The Cd(1)-Br(1) bond length is 2.32 Å. In the second Cd site, Cd(2) is bonded in a 8-coordinate geometry to two equivalent Os(1), two equivalent Cd(1), and four equivalent Cd(2) atoms. There are two shorter (3.21 Å) and two longer (3.43 Å) Cd(2)-Cd(2) bond lengths. Br(1) is bonded in a 1-coordinate geometry to one Os(1) and one Cd(1) atom.