data_Os2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2RuPb
_chemical_formula_sum   'Os2 Ru1 Pb1'
_cell_volume   65.86
_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
  Os  Os0  1  0.81  0.81  0.81  1.0
  Os  Os1  1  0.21  0.21  0.21  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.6  0.6  0.6  1.0

data_Os2RuPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   11.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Os2RuPb
_chemical_formula_sum   'Os6 Ru3 Pb3'
_cell_volume   197.57
_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
  Ru  Ru0  3  0.0  0.0  0.0  1.0
  Os  Os1  3  0.0  0.0  0.19  1.0
  Os  Os2  3  0.0  0.0  0.79  1.0
  Pb  Pb3  3  0.0  0.0  0.4  1.0

Os Os Ru Pb
Os2RuPb crystallizes in the trigonal R3m space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a distorted linear geometry to three equivalent Os(2), one Ru(1), and four equivalent Pb(1) atoms. All Os(1)-Os(2) bond lengths are 2.71 Å. The Os(1)-Ru(1) bond length is 2.13 Å. There is one shorter (2.28 Å) and three longer (2.98 Å) Os(1)-Pb(1) bond lengths. In the second Os site, Os(2) is bonded in a 10-coordinate geometry to three equivalent Os(1), four equivalent Ru(1), and three equivalent Pb(1) atoms. There is one shorter (2.28 Å) and three longer (2.98 Å) Os(2)-Ru(1) bond lengths. All Os(2)-Pb(1) bond lengths are 2.71 Å. Ru(1) is bonded in a 5-coordinate geometry to one Os(1), four equivalent Os(2), and three equivalent Pb(1) atoms. All Ru(1)-Pb(1) bond lengths are 2.71 Å. Pb(1) is bonded in a 10-coordinate geometry to three equivalent Os(2), four equivalent Os(1), and three equivalent Ru(1) atoms.