data_Os2PdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.17
_cell_angle_alpha   98.87
_cell_angle_beta   98.87
_cell_angle_gamma   36.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2PdPb
_chemical_formula_sum   'Os2 Pd1 Pb1'
_cell_volume   68.38
_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  0.19  0.0  0.95  1.0
  Os  Os1  1  0.66  0.0  0.08  1.0
  Pd  Pd3  1  0.53  0.0  0.25  1.0
  Pb  Pb2  1  0.12  0.0  0.46  1.0

data_Os2PdPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.76
_cell_length_c   5.17
_cell_angle_alpha   98.87
_cell_angle_beta   90.0
_cell_angle_gamma   108.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2PdPb
_chemical_formula_sum   'Os2 Pd1 Pb1'
_cell_volume   68.38
_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  0.0  0.34  0.92  1.0
  Pd  Pd1  1  0.0  0.47  0.75  1.0
  Os  Os2  1  0.0  0.81  0.05  1.0
  Pb  Pb3  1  0.0  0.88  0.54  1.0

Os Os Pd Pb
Os Os Pd Pb 0 3 o o o 0 3 o o + 0 2 o o + 0 1 o o + 1 2 o o o 1 3 + o o 2 3 + o o 2 3 o o o 3 3 + - o 
Os2PdPb crystallizes in the triclinic P1 space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 7-coordinate geometry to two equivalent Os(1), two equivalent Os(2), one Pd(1), and two equivalent Pb(1) atoms. Both Os(1)-Os(1) bond lengths are 2.97 Å. There is one shorter (2.24 Å) and one longer (2.72 Å) Os(1)-Os(2) bond length. The Os(1)-Pd(1) bond length is 2.11 Å. There is one shorter (2.47 Å) and one longer (2.73 Å) Os(1)-Pb(1) bond length. In the second Os site, Os(2) is bonded in a single-bond geometry to two equivalent Os(1) and one Pd(1) atom. The Os(2)-Pd(1) bond length is 1.13 Å. Pd(1) is bonded in a distorted single-bond geometry to one Os(1), one Os(2), and one Pb(1) atom. The Pd(1)-Pb(1) bond length is 2.36 Å. Pb(1) is bonded in a 2-coordinate geometry to two equivalent Os(1) and one Pd(1) atom.