data_SiOsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiOsAu2
_chemical_formula_sum   'Si1 Os1 Au2'
_cell_volume   64.64
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.19  1.0
  Au  Au0  1  0.59  0.59  0.5  1.0
  Au  Au1  1  0.59  0.59  0.88  1.0

data_SiOsAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiOsAu2
_chemical_formula_sum   'Si2 Os2 Au4'
_cell_volume   129.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Os  Os1  2  0.0  0.0  0.19  1.0
  Au  Au2  2  0.09  0.5  0.5  1.0
  Au  Au3  2  0.09  0.5  0.88  1.0

Si Os Au Au
Si Os Au Au 0 1 o o o 0 3 o - - 0 3 - o - 0 3 - - - 1 2 o - o 1 2 - o o 1 2 - - o 2 2 + o o 2 2 o + o 2 3 o o o 
OsAu2Si crystallizes in the monoclinic Cm space group. Os(1) is bonded in a single-bond geometry to four equivalent Au(1) and one Si(1) atom. There are a spread of Os(1)-Au(1) bond distances ranging from 2.70-3.32 Å. The Os(1)-Si(1) bond length is 1.19 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to four equivalent Os(1), one Au(2), and four equivalent Au(1) atoms. The Au(1)-Au(2) bond length is 2.43 Å. All Au(1)-Au(1) bond lengths are 3.18 Å. In the second Au site, Au(2) is bonded in a 5-coordinate geometry to one Au(1) and four equivalent Si(1) atoms. There are a spread of Au(2)-Si(1) bond distances ranging from 2.00-2.78 Å. Si(1) is bonded in a 5-coordinate geometry to one Os(1) and four equivalent Au(2) atoms.