data_Cd5Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd5Os
_chemical_formula_sum   'Cd5 Os1'
_cell_volume   129.21
_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  0.37  0.37  0.5  1.0
  Cd  Cd1  1  0.73  0.58  0.0  1.0
  Cd  Cd2  1  0.63  0.37  0.5  1.0
  Cd  Cd3  1  0.73  0.0  0.5  1.0
  Cd  Cd4  1  0.0  0.16  0.0  1.0
  Os  Os5  1  0.0  0.0  0.0  1.0

data_Cd5Os
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.47
_cell_length_b   4.99
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cd5Os
_chemical_formula_sum   'Cd5 Os1'
_cell_volume   129.21
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.16  1.0
  Cd  Cd1  1  0.37  0.5  0.37  1.0
  Cd  Cd2  1  0.63  0.5  0.37  1.0
  Cd  Cd3  1  0.73  0.0  0.58  1.0
  Cd  Cd4  1  0.73  0.5  0.0  1.0
  Os  Os5  1  0.0  0.0  0.0  1.0

Cd Cd Cd Cd Cd Os
Cd Cd Cd Cd Cd Os 0 2 o o o 0 3 o + o 0 3 - o o 1 5 + + o 2 3 o o o 3 5 + o o 3 5 + o + 3 4 + o o 3 4 + o + 4 5 o o o 
OsCd5 crystallizes in the triclinic P1 space group. Os(1) is bonded in a distorted single-bond geometry to one Cd(2), one Cd(5), and two equivalent Cd(4) atoms. The Os(1)-Cd(2) bond length is 2.02 Å. The Os(1)-Cd(5) bond length is 0.85 Å. There is one shorter (2.88 Å) and one longer (2.90 Å) Os(1)-Cd(4) bond length. There are five inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Cd(3) and two equivalent Cd(4) atoms. The Cd(1)-Cd(3) bond length is 1.46 Å. Both Cd(1)-Cd(4) bond lengths are 3.01 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Os(1) atom. In the third Cd site, Cd(3) is bonded in a 1-coordinate geometry to one Cd(1) and one Cd(4) atom. The Cd(3)-Cd(4) bond length is 2.32 Å. In the fourth Cd site, Cd(4) is bonded in a 7-coordinate geometry to two equivalent Os(1), one Cd(3), two equivalent Cd(1), and two equivalent Cd(5) atoms. There is one shorter (2.79 Å) and one longer (2.81 Å) Cd(4)-Cd(5) bond length. In the fifth Cd site, Cd(5) is bonded in a single-bond geometry to one Os(1) and two equivalent Cd(4) atoms.