data_TlOs3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlOs3Pb
_chemical_formula_sum   'Tl1 Os3 Pb1'
_cell_volume   127.68
_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
  Tl  Tl1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.52  0.0  1.0
  Os  Os3  1  0.0  0.0  0.52  1.0
  Os  Os4  1  0.52  0.0  0.0  1.0
  Pb  Pb0  1  0.52  0.52  0.52  1.0

data_TlOs3Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.12
_cell_length_b   7.12
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlOs3Pb
_chemical_formula_sum   'Tl3 Os9 Pb3'
_cell_volume   383.03
_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
  Tl  Tl0  3  0.0  0.0  0.0  1.0
  Os  Os1  9  0.01  0.51  0.51  1.0
  Pb  Pb2  3  0.0  0.0  0.52  1.0

Tl Os Os Os Pb
Tl Os Os Os Pb 0 3 - o o 0 3 o o o 0 1 o - o 0 1 o o o 0 2 o o - 0 2 o o o 0 4 - - - 1 4 o o o 1 4 o o - 1 4 - o o 1 4 - o - 2 4 o o o 2 4 o - o 2 4 - o o 2 4 - - o 3 4 o o o 3 4 o o - 3 4 o - o 3 4 o - - 
Os3TlPb is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Os(1) is bonded in a linear geometry to two equivalent Tl(1) and three equivalent Pb(1) atoms. There is one shorter (2.43 Å) and one longer (2.61 Å) Os(1)-Tl(1) bond length. There is one shorter (3.43 Å) and two longer (3.56 Å) Os(1)-Pb(1) bond lengths. Tl(1) is bonded to six equivalent Os(1) atoms to form corner-sharing TlOs6 octahedra. The corner-sharing octahedra are not tilted. Pb(1) is bonded in a 9-coordinate geometry to nine equivalent Os(1) atoms.