data_LaSbOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSbOs2
_chemical_formula_sum   'La1 Sb1 Os2'
_cell_volume   81.25
_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
  La  La0  1  0.72  0.72  0.72  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.16  0.16  0.16  1.0
  Os  Os2  1  0.44  0.44  0.44  1.0

data_LaSbOs2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   11.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaSbOs2
_chemical_formula_sum   'La3 Sb3 Os6'
_cell_volume   243.74
_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
  La  La0  3  0.0  0.0  0.28  1.0
  Sb  Sb1  3  0.0  0.0  0.0  1.0
  Os  Os2  3  0.0  0.0  0.56  1.0
  Os  Os3  3  0.0  0.0  0.84  1.0

La Sb Os Os
La Sb Os Os 0 3 o o o 0 3 o o + 0 3 o + o 0 3 + o o 0 2 o + + 0 2 + o + 0 2 + + o 0 1 o + + 0 1 + o + 0 1 + + o 0 1 + + + 1 2 o o o 1 3 o o - 1 3 o - o 1 3 - o o 2 3 o o o 2 3 o o - 2 3 o - o 2 3 - o o 
LaOs2Sb crystallizes in the trigonal R3m space group. La(1) is bonded in a 11-coordinate geometry to three equivalent Os(1), four equivalent Os(2), and four equivalent Sb(1) atoms. All La(1)-Os(1) bond lengths are 3.07 Å. There are three shorter (2.87 Å) and one longer (3.35 Å) La(1)-Os(2) bond length. There are three shorter (2.87 Å) and one longer (3.35 Å) La(1)-Sb(1) bond length. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a single-bond geometry to three equivalent La(1) and one Sb(1) atom. The Os(1)-Sb(1) bond length is 1.86 Å. In the second Os site, Os(2) is bonded in a 4-coordinate geometry to four equivalent La(1) atoms. Sb(1) is bonded in a 1-coordinate geometry to four equivalent La(1) and one Os(1) atom.