data_TeOs4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeOs4Pb
_chemical_formula_sum   'Te1 Os4 Pb1'
_cell_volume   110.08
_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
  Te  Te5  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.76  0.76  0.85  1.0
  Os  Os1  1  0.76  0.85  0.76  1.0
  Os  Os2  1  0.85  0.76  0.76  1.0
  Os  Os3  1  0.85  0.85  0.85  1.0
  Pb  Pb4  1  0.71  0.71  0.71  1.0

data_TeOs4Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   13.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TeOs4Pb
_chemical_formula_sum   'Te3 Os12 Pb3'
_cell_volume   330.24
_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
  Te  Te0  3  0.0  0.0  0.0  1.0
  Os  Os1  9  0.03  0.06  0.21  1.0
  Os  Os2  3  0.0  0.0  0.15  1.0
  Pb  Pb3  3  0.0  0.0  0.29  1.0

Te Os Os Os Os Pb
Te Os Os Os Os Pb 0 4 - - - 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
Os4PbTe crystallizes in the trigonal R3m space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 2-coordinate geometry to one Os(2), two equivalent Os(1), and one Pb(1) atom. The Os(1)-Os(2) bond length is 0.84 Å. Both Os(1)-Os(1) bond lengths are 0.49 Å. The Os(1)-Pb(1) bond length is 1.13 Å. In the second Os site, Os(2) is bonded in a 4-coordinate geometry to three equivalent Os(1) and one Te(1) atom. The Os(2)-Te(1) bond length is 1.99 Å. Pb(1) is bonded in a 6-coordinate geometry to three equivalent Os(1) and three equivalent Te(1) atoms. All Pb(1)-Te(1) bond lengths are 3.15 Å. Te(1) is bonded in a distorted single-bond geometry to one Os(2) and three equivalent Pb(1) atoms.