data_Os2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2C
_chemical_formula_sum   'Os6 C3'
_cell_volume   107.55
_cell_formula_units_Z   3
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
  Os  Os3  1  0.87  0.5  0.91  1.0
  Os  Os4  1  0.2  0.0  0.91  1.0
  Os  Os5  1  0.4  0.77  0.91  1.0
  Os  Os6  1  0.13  0.5  0.19  1.0
  Os  Os7  1  0.73  0.0  0.19  1.0
  Os  Os8  1  0.6  0.77  0.19  1.0
  C  C0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.0  0.85  0.55  1.0
  C  C2  1  0.47  0.42  0.55  1.0

data_Os2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2C
_chemical_formula_sum   'Os6 C3'
_cell_volume   107.55
_cell_formula_units_Z   3
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
  Os  Os0  1  0.13  0.5  0.19  1.0
  Os  Os1  1  0.2  0.0  0.91  1.0
  Os  Os2  1  0.4  0.77  0.91  1.0
  Os  Os3  1  0.6  0.77  0.19  1.0
  Os  Os4  1  0.73  0.0  0.19  1.0
  Os  Os5  1  0.87  0.5  0.91  1.0
  C  C6  1  0.0  0.0  0.0  1.0
  C  C7  1  0.0  0.85  0.55  1.0
  C  C8  1  0.47  0.42  0.55  1.0

Os Os Os Os Os Os C C C
Os2C crystallizes in the triclinic P1 space group. There are six inequivalent Os sites. In the first Os site, Os(1) is bonded in a 4-coordinate geometry to one Os(4), one C(1), one C(2), and one C(3) atom. The Os(1)-Os(4) bond length is 1.98 Å. The Os(1)-C(1) bond length is 2.26 Å. The Os(1)-C(2) bond length is 2.36 Å. The Os(1)-C(3) bond length is 2.56 Å. In the second Os site, Os(2) is bonded in a distorted single-bond geometry to one Os(3), one C(1), one C(2), and one C(3) atom. The Os(2)-Os(3) bond length is 1.80 Å. The Os(2)-C(1) bond length is 1.11 Å. The Os(2)-C(2) bond length is 2.03 Å. The Os(2)-C(3) bond length is 2.58 Å. In the third Os site, Os(3) is bonded in a 4-coordinate geometry to one Os(2), one Os(4), one Os(6), and one C(3) atom. The Os(3)-Os(4) bond length is 1.98 Å. The Os(3)-Os(6) bond length is 1.78 Å. The Os(3)-C(3) bond length is 2.64 Å. In the fourth Os site, Os(4) is bonded in a 7-coordinate geometry to one Os(1), one Os(3), one Os(5), one Os(6), one C(1), one C(2), and one C(3) atom. The Os(4)-Os(5) bond length is 2.26 Å. The Os(4)-Os(6) bond length is 2.01 Å. The Os(4)-C(1) bond length is 2.42 Å. The Os(4)-C(2) bond length is 2.80 Å. The Os(4)-C(3) bond length is 2.60 Å. In the fifth Os site, Os(5) is bonded in an L-shaped geometry to one Os(4), one Os(6), and one C(1) atom. The Os(5)-Os(6) bond length is 0.97 Å. The Os(5)-C(1) bond length is 1.65 Å. In the sixth Os site, Os(6) is bonded in a distorted single-bond geometry to one Os(3), one Os(4), one Os(5), and one C(3) atom. The Os(6)-C(3) bond length is 2.36 Å. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one Os(1), one Os(2), one Os(4), and one Os(5) atom. In the second C site, C(2) is bonded in a 1-coordinate geometry to one Os(1), one Os(2), and one Os(4) atom. In the third C site, C(3) is bonded in a distorted square pyramidal geometry to one Os(1), one Os(2), one Os(3), one Os(4), and one Os(6) atom.