data_Os3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   152.26
_cell_angle_beta   132.07
_cell_angle_gamma   56.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os3Au
_chemical_formula_sum   'Os3 Au1'
_cell_volume   63.69
_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
  Os  Os1  1  0.37  0.0  0.21  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.32  0.82  1.0
  Au  Au0  1  0.0  0.0  0.03  1.0

data_Os3Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.63
_cell_length_c   5.7
_cell_angle_alpha   113.97
_cell_angle_beta   103.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os3Au
_chemical_formula_sum   'Os3 Au1'
_cell_volume   63.69
_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
  Os  Os0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.21  0.84  1.0
  Os  Os2  1  0.68  0.5  0.5  1.0
  Au  Au3  1  0.0  0.03  0.03  1.0

Os Os Os Au
Os3Au crystallizes in the triclinic P1 space group. There are three inequivalent Os sites. In the first Os site, Os(1) is bonded in a 2-coordinate geometry to one Os(2), one Os(3), and one Au(1) atom. The Os(1)-Os(2) bond length is 1.57 Å. The Os(1)-Os(3) bond length is 2.77 Å. The Os(1)-Au(1) bond length is 1.60 Å. In the second Os site, Os(2) is bonded in a single-bond geometry to one Os(1), one Os(3), and one Au(1) atom. The Os(2)-Os(3) bond length is 2.75 Å. The Os(2)-Au(1) bond length is 0.16 Å. In the third Os site, Os(3) is bonded in a 6-coordinate geometry to one Os(1), one Os(2), two equivalent Os(3), and two equivalent Au(1) atoms. Both Os(3)-Os(3) bond lengths are 2.73 Å. There is one shorter (2.90 Å) and one longer (3.04 Å) Os(3)-Au(1) bond length. Au(1) is bonded in a single-bond geometry to one Os(1), one Os(2), and two equivalent Os(3) atoms.