data_GaSb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSb2Os
_chemical_formula_sum   'Ga1 Sb2 Os1'
_cell_volume   79.48
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.41  0.41  0.41  1.0
  Sb  Sb3  1  0.12  0.12  0.12  1.0
  Os  Os1  1  0.71  0.71  0.71  1.0

data_GaSb2Os
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   11.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaSb2Os
_chemical_formula_sum   'Ga3 Sb6 Os3'
_cell_volume   238.44
_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
  Ga  Ga0  3  0.0  0.0  0.0  1.0
  Sb  Sb1  3  0.0  0.0  0.59  1.0
  Sb  Sb2  3  0.0  0.0  0.88  1.0
  Os  Os3  3  0.0  0.0  0.29  1.0

Ga Sb Sb Os
Ga Sb Sb Os 0 2 o o o 0 1 o o - 0 1 o - o 0 1 - o o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 - o o 1 3 o - o 1 3 o o - 2 3 o - - 2 3 - o - 2 3 - - o 
OsGaSb2 crystallizes in the trigonal R3m space group. Os(1) is bonded in a 10-coordinate geometry to three equivalent Ga(1), three equivalent Sb(2), and four equivalent Sb(1) atoms. All Os(1)-Ga(1) bond lengths are 2.83 Å. All Os(1)-Sb(2) bond lengths are 2.94 Å. There are three shorter (2.83 Å) and one longer (3.47 Å) Os(1)-Sb(1) bond length. Ga(1) is bonded in a single-bond geometry to three equivalent Os(1), one Sb(2), and three equivalent Sb(1) atoms. The Ga(1)-Sb(2) bond length is 1.40 Å. All Ga(1)-Sb(1) bond lengths are 2.94 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to four equivalent Os(1), three equivalent Ga(1), and three equivalent Sb(2) atoms. All Sb(1)-Sb(2) bond lengths are 2.83 Å. In the second Sb site, Sb(2) is bonded in a single-bond geometry to three equivalent Os(1), one Ga(1), and three equivalent Sb(1) atoms.