data_Os3Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92
_cell_length_b   7.92
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os3Se5
_chemical_formula_sum   'Os6 Se10'
_cell_volume   284.37
_cell_formula_units_Z   2
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  0.38  0.8  0.93  1.0
  Os  Os1  1  0.66  0.06  0.31  1.0
  Os  Os2  1  0.34  0.06  0.93  1.0
  Os  Os3  1  0.23  0.0  0.93  1.0
  Os  Os4  1  0.69  0.0  0.31  1.0
  Os  Os5  1  0.62  0.8  0.31  1.0
  Se  Se6  1  0.96  0.29  0.62  1.0
  Se  Se7  1  0.0  0.57  0.0  1.0
  Se  Se8  1  0.0  0.57  0.62  1.0
  Se  Se9  1  0.96  0.29  0.0  1.0
  Se  Se10  1  0.13  0.97  0.93  1.0
  Se  Se11  1  0.91  0.89  0.31  1.0
  Se  Se12  1  0.09  0.89  0.93  1.0
  Se  Se13  1  0.73  0.0  0.93  1.0
  Se  Se14  1  0.18  0.0  0.31  1.0
  Se  Se15  1  0.87  0.97  0.31  1.0

data_Os3Se5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.24
_cell_length_b   7.92
_cell_length_c   7.92
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os3Se5
_chemical_formula_sum   'Os6 Se10'
_cell_volume   284.37
_cell_formula_units_Z   2
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  0.31  0.62  0.8  1.0
  Os  Os1  1  0.31  0.66  0.06  1.0
  Os  Os2  1  0.31  0.69  0.0  1.0
  Os  Os3  1  0.93  0.23  0.0  1.0
  Os  Os4  1  0.93  0.34  0.06  1.0
  Os  Os5  1  0.93  0.38  0.8  1.0
  Se  Se6  1  -0.0  0.96  0.29  1.0
  Se  Se7  1  -0.0  -0.0  0.57  1.0
  Se  Se8  1  0.31  0.18  0.0  1.0
  Se  Se9  1  0.31  0.87  0.97  1.0
  Se  Se10  1  0.31  0.91  0.89  1.0
  Se  Se11  1  0.62  -0.0  0.57  1.0
  Se  Se12  1  0.62  0.96  0.29  1.0
  Se  Se13  1  0.93  0.09  0.89  1.0
  Se  Se14  1  0.93  0.13  0.97  1.0
  Se  Se15  1  0.93  0.73  0.0  1.0

Os Os Os Os Os Os Se Se Se Se Se Se Se Se Se Se
Os3Se5 crystallizes in the triclinic P1 space group. There are six inequivalent Os sites. In the first Os site, Os(1) is bonded in a 3-coordinate geometry to one Os(3), one Se(2), one Se(3), and one Se(8) atom. The Os(1)-Os(3) bond length is 2.22 Å. The Os(1)-Se(2) bond length is 2.67 Å. The Os(1)-Se(3) bond length is 3.10 Å. The Os(1)-Se(8) bond length is 2.41 Å. In the second Os site, Os(2) is bonded in a single-bond geometry to one Os(5), one Se(1), and one Se(4) atom. The Os(2)-Os(5) bond length is 0.60 Å. The Os(2)-Se(1) bond length is 2.70 Å. The Os(2)-Se(4) bond length is 2.70 Å. In the third Os site, Os(3) is bonded in a single-bond geometry to one Os(1) and one Os(4) atom. The Os(3)-Os(4) bond length is 0.75 Å. In the fourth Os site, Os(4) is bonded in a distorted single-bond geometry to one Os(3), one Se(5), and one Se(9) atom. The Os(4)-Se(5) bond length is 0.70 Å. The Os(4)-Se(9) bond length is 2.04 Å. In the fifth Os site, Os(5) is bonded in a 4-coordinate geometry to one Os(2), one Os(6), one Se(1), one Se(10), and one Se(8) atom. The Os(5)-Os(6) bond length is 1.39 Å. The Os(5)-Se(1) bond length is 2.75 Å. The Os(5)-Se(10) bond length is 1.59 Å. The Os(5)-Se(8) bond length is 2.04 Å. In the sixth Os site, Os(6) is bonded in a 2-coordinate geometry to one Os(5) and one Se(10) atom. The Os(6)-Se(10) bond length is 1.75 Å. There are ten inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one Os(2), one Os(5), one Se(10), one Se(3), one Se(4), and one Se(8) atom. The Se(1)-Se(10) bond length is 2.78 Å. The Se(1)-Se(3) bond length is 2.12 Å. The Se(1)-Se(4) bond length is 2.00 Å. The Se(1)-Se(8) bond length is 2.63 Å. In the second Se site, Se(2) is bonded in a distorted rectangular see-saw-like geometry to one Os(1), one Se(3), one Se(4), and one Se(7) atom. The Se(2)-Se(3) bond length is 2.00 Å. The Se(2)-Se(4) bond length is 2.12 Å. The Se(2)-Se(7) bond length is 2.29 Å. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to one Os(1), one Se(1), one Se(2), and one Se(7) atom. The Se(3)-Se(7) bond length is 2.78 Å. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Os(2), one Se(1), one Se(2), and one Se(8) atom. The Se(4)-Se(8) bond length is 2.10 Å. In the fifth Se site, Se(5) is bonded in a bent 120 degrees geometry to one Os(4) and one Se(7) atom. The Se(5)-Se(7) bond length is 0.51 Å. In the sixth Se site, Se(6) is bonded in a distorted single-bond geometry to one Se(10) and one Se(9) atom. The Se(6)-Se(10) bond length is 0.80 Å. The Se(6)-Se(9) bond length is 1.92 Å. In the seventh Se site, Se(7) is bonded in a single-bond geometry to one Se(2), one Se(3), and one Se(5) atom. In the eighth Se site, Se(8) is bonded in a 2-coordinate geometry to one Os(1), one Os(5), one Se(1), and one Se(4) atom. In the ninth Se site, Se(9) is bonded in a 2-coordinate geometry to one Os(4) and one Se(6) atom. In the tenth Se site, Se(10) is bonded in a 3-coordinate geometry to one Os(5), one Os(6), one Se(1), and one Se(6) atom.