data_TaSnBiOs
_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   TaSnBiOs
_chemical_formula_sum   'Ta1 Sn1 Bi1 Os1'
_cell_volume   81.2
_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
  Ta  Ta3  1  0.44  0.44  0.44  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.16  0.16  0.16  1.0
  Os  Os1  1  0.72  0.72  0.72  1.0

data_TaSnBiOs
_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   TaSnBiOs
_chemical_formula_sum   'Ta3 Sn3 Bi3 Os3'
_cell_volume   243.6
_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
  Ta  Ta0  3  0.0  0.0  0.56  1.0
  Sn  Sn1  3  0.0  0.0  0.0  1.0
  Bi  Bi2  3  0.0  0.0  0.84  1.0
  Os  Os3  3  0.0  0.0  0.28  1.0

Ta Sn Bi Os
Ta Sn Bi Os 0 2 o o o 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o o + 0 1 o + o 0 1 + o o 0 3 - o o 0 3 o - o 0 3 o o - 0 3 o o o 1 2 o o o 1 3 o - - 1 3 - o - 1 3 - - o 1 3 - - - 2 3 o - - 2 3 - o - 2 3 - - o 
TaOsSnBi crystallizes in the trigonal R3m space group. Ta(1) is bonded in a 11-coordinate geometry to four equivalent Os(1), three equivalent Sn(1), and four equivalent Bi(1) atoms. There are three shorter (2.87 Å) and one longer (3.35 Å) Ta(1)-Os(1) bond length. All Ta(1)-Sn(1) bond lengths are 3.07 Å. There are three shorter (2.87 Å) and one longer (3.35 Å) Ta(1)-Bi(1) bond length. Os(1) is bonded in a 11-coordinate geometry to four equivalent Ta(1), four equivalent Sn(1), and three equivalent Bi(1) atoms. There are three shorter (2.87 Å) and one longer (3.35 Å) Os(1)-Sn(1) bond length. All Os(1)-Bi(1) bond lengths are 3.07 Å. Sn(1) is bonded in a distorted single-bond geometry to three equivalent Ta(1), four equivalent Os(1), and one Bi(1) atom. The Sn(1)-Bi(1) bond length is 1.85 Å. Bi(1) is bonded in a distorted single-bond geometry to four equivalent Ta(1), three equivalent Os(1), and one Sn(1) atom.