data_SiOsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   4.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiOsCl
_chemical_formula_sum   'Si1 Os1 Cl1'
_cell_volume   50.82
_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  Si2  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.41  0.41  0.41  1.0
  Cl  Cl0  1  0.94  0.94  0.94  1.0

data_SiOsCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   10.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SiOsCl
_chemical_formula_sum   'Si3 Os3 Cl3'
_cell_volume   152.46
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Os  Os1  3  0.0  0.0  0.59  1.0
  Cl  Cl2  3  0.0  0.0  0.06  1.0

Si Os Cl
Si Os Cl 0 2 - - - 0 1 o o - 0 1 o - o 0 1 - o o 1 2 - - o 1 2 - o - 1 2 o - - 
OsSiCl crystallizes in the trigonal R3m space group. Os(1) is bonded in a 9-coordinate geometry to three equivalent Si(1) and six equivalent Cl(1) atoms. All Os(1)-Si(1) bond lengths are 2.52 Å. There are three shorter (2.77 Å) and three longer (3.13 Å) Os(1)-Cl(1) bond lengths. Si(1) is bonded in a single-bond geometry to three equivalent Os(1) and one Cl(1) atom. The Si(1)-Cl(1) bond length is 0.61 Å. Cl(1) is bonded in a single-bond geometry to six equivalent Os(1) and one Si(1) atom.