data_Si2SbOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SbOs
_chemical_formula_sum   'Si2 Sb1 Os1'
_cell_volume   65.75
_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  0.81  0.81  0.81  1.0
  Si  Si3  1  0.6  0.6  0.6  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.2  0.2  0.2  1.0

data_Si2SbOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   11.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Si2SbOs
_chemical_formula_sum   'Si6 Sb3 Os3'
_cell_volume   197.26
_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  0.19  1.0
  Si  Si1  3  0.0  0.0  0.4  1.0
  Sb  Sb2  3  0.0  0.0  0.0  1.0
  Os  Os3  3  0.0  0.0  0.8  1.0

Si Si Sb Os
Si Si Sb Os 0 1 o o o 0 1 o + o 0 1 + o o 0 1 o o + 0 3 o + + 0 3 + o + 0 3 + + o 0 2 + + + 1 3 o o + 1 3 o + o 1 3 + o o 1 2 o + + 1 2 + o + 1 2 + + o 2 3 o o o 2 3 o o - 2 3 - o o 2 3 o - o 
OsSi2Sb crystallizes in the trigonal R3m space group. Os(1) is bonded in a 7-coordinate geometry to three equivalent Si(1), three equivalent Si(2), and one Sb(1) atom. All Os(1)-Si(1) bond lengths are 2.71 Å. All Os(1)-Si(2) bond lengths are 2.71 Å. The Os(1)-Sb(1) bond length is 2.26 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 5-coordinate geometry to three equivalent Os(1), one Si(2), and one Sb(1) atom. The Si(1)-Si(2) bond length is 2.26 Å. The Si(1)-Sb(1) bond length is 2.16 Å. In the second Si site, Si(2) is bonded to three equivalent Os(1), one Si(1), and three equivalent Sb(1) atoms to form distorted edge-sharing SiSiSb3Os3 hexagonal pyramids. All Si(2)-Sb(1) bond lengths are 2.71 Å. Sb(1) is bonded in a 2-coordinate geometry to one Os(1), one Si(1), and three equivalent Si(2) atoms.