data_Sn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.9
_cell_length_b   8.9
_cell_length_c   8.9
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Os
_chemical_formula_sum   'Sn16 Os8'
_cell_volume   498.19
_cell_formula_units_Z   8
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
  Sn  Sn8  1  0.57  0.72  0.72  1.0
  Sn  Sn9  1  0.72  0.57  0.72  1.0
  Sn  Sn10  1  0.57  0.57  0.57  1.0
  Sn  Sn11  1  0.72  0.72  0.57  1.0
  Sn  Sn12  1  0.44  0.44  0.88  1.0
  Sn  Sn13  1  0.99  0.44  0.44  1.0
  Sn  Sn14  1  0.44  0.99  0.44  1.0
  Sn  Sn15  1  0.44  0.88  0.44  1.0
  Sn  Sn16  1  0.88  0.44  0.44  1.0
  Sn  Sn17  1  0.44  0.44  0.99  1.0
  Sn  Sn18  1  0.29  0.29  0.85  1.0
  Sn  Sn19  1  0.74  0.29  0.29  1.0
  Sn  Sn20  1  0.29  0.74  0.29  1.0
  Sn  Sn21  1  0.29  0.85  0.29  1.0
  Sn  Sn22  1  0.85  0.29  0.29  1.0
  Sn  Sn23  1  0.29  0.29  0.74  1.0
  Os  Os0  1  0.19  0.19  0.4  1.0
  Os  Os1  1  0.4  0.4  0.4  1.0
  Os  Os2  1  0.19  0.4  0.19  1.0
  Os  Os3  1  0.4  0.19  0.19  1.0
  Os  Os4  1  0.54  0.54  0.33  1.0
  Os  Os5  1  0.33  0.33  0.33  1.0
  Os  Os6  1  0.54  0.33  0.54  1.0
  Os  Os7  1  0.33  0.54  0.54  1.0

data_Sn2Os
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.9
_cell_length_b   8.9
_cell_length_c   21.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sn2Os
_chemical_formula_sum   'Sn48 Os24'
_cell_volume   1494.57
_cell_formula_units_Z   24
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
  Sn  Sn0  9  0.04  0.52  0.08  1.0
  Sn  Sn1  9  0.04  0.52  0.23  1.0
  Sn  Sn2  9  0.1  0.05  0.33  1.0
  Sn  Sn3  9  0.18  0.37  0.38  1.0
  Sn  Sn4  9  0.18  0.37  0.52  1.0
  Sn  Sn5  3  0.0  0.0  0.43  1.0
  Os  Os6  9  0.07  0.14  0.74  1.0
  Os  Os7  9  0.14  0.07  0.53  1.0
  Os  Os8  3  0.0  0.0  0.6  1.0
  Os  Os9  3  0.0  0.0  0.67  1.0

Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Os Os Os Os Os Os Os Os
Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Os Os Os Os Os Os Os Os 0 1 o o o 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 23 o o o 2 22 o o o 2 20 o o o 2 4 o o o 2 7 o o o 2 8 o o o 2 3 o o o 4 9 o o o 5 8 o o o 5 16 + o o 5 18 + o o 6 7 o o o 6 16 o + o 6 19 o + o 9 18 o o + 9 19 o o + 10 15 o o o 11 14 o o o 11 20 o o o 11 22 o o o 12 13 o o o 12 20 o o o 12 23 o o o 15 22 o o o 15 23 o o o 16 19 o o o 16 18 o o o 16 21 o o o 17 21 o o o 17 20 o o o 17 22 o o o 17 23 o o o 18 21 o o o 18 19 o o o 19 21 o o o 20 22 o o o 20 23 o o o 22 23 o o o 
OsSn2 crystallizes in the trigonal R3m space group. There are four inequivalent Os sites. In the first Os site, Os(1) is bonded in a 5-coordinate geometry to one Os(4), two equivalent Os(1), and two equivalent Sn(4) atoms. The Os(1)-Os(4) bond length is 1.99 Å. Both Os(1)-Os(1) bond lengths are 1.84 Å. Both Os(1)-Sn(4) bond lengths are 2.10 Å. In the second Os site, Os(2) is bonded in a distorted single-bond geometry to one Os(4), three equivalent Os(3), and three equivalent Sn(6) atoms. The Os(2)-Os(4) bond length is 1.33 Å. All Os(2)-Os(3) bond lengths are 1.99 Å. All Os(2)-Sn(6) bond lengths are 2.49 Å. In the third Os site, Os(3) is bonded in a 6-coordinate geometry to one Os(2), two equivalent Os(3), one Sn(2), and two equivalent Sn(6) atoms. Both Os(3)-Os(3) bond lengths are 1.84 Å. The Os(3)-Sn(2) bond length is 2.44 Å. Both Os(3)-Sn(6) bond lengths are 2.10 Å. In the fourth Os site, Os(4) is bonded in a distorted single-bond geometry to one Os(2) and three equivalent Os(1) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to one Sn(2) and two equivalent Sn(1) atoms. The Sn(1)-Sn(2) bond length is 2.25 Å. Both Sn(1)-Sn(1) bond lengths are 1.30 Å. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to three equivalent Os(3), three equivalent Sn(1), and three equivalent Sn(3) atoms. All Sn(2)-Sn(3) bond lengths are 2.31 Å. In the third Sn site, Sn(3) is bonded in a distorted single-bond geometry to one Sn(2) and one Sn(4) atom. The Sn(3)-Sn(4) bond length is 0.97 Å. In the fourth Sn site, Sn(4) is bonded in a distorted single-bond geometry to two equivalent Os(1) and one Sn(3) atom. In the fifth Sn site, Sn(5) is bonded in a distorted single-bond geometry to one Sn(6) atom. The Sn(5)-Sn(6) bond length is 0.97 Å. In the sixth Sn site, Sn(6) is bonded in a 4-coordinate geometry to one Os(2), two equivalent Os(3), and one Sn(5) atom.