data_NbOs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOs2Pb
_chemical_formula_sum   'Nb1 Os2 Pb1'
_cell_volume   72.51
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.6  0.6  0.5  1.0
  Os  Os2  1  0.6  0.6  0.57  1.0
  Pb  Pb3  1  0.0  0.0  0.53  1.0

data_NbOs2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbOs2Pb
_chemical_formula_sum   'Nb2 Os4 Pb2'
_cell_volume   145.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Nb  Nb0  2  0.0  0.0  0.0  1.0
  Os  Os1  2  0.1  0.5  0.5  1.0
  Os  Os2  2  0.1  0.5  0.57  1.0
  Pb  Pb3  2  0.0  0.0  0.53  1.0

Nb Os Os Pb
Nb Os Os Pb 0 2 - - - 0 2 - o - 0 2 o - - 0 1 - - - 0 1 - - o 0 0 + o o 0 0 o + o 0 3 o o - 0 3 o o o 1 2 o o o 1 3 + + o 2 3 + + o 
NbOs2Pb crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a 7-coordinate geometry to four equivalent Nb(1), one Os(2), and two equivalent Pb(1) atoms. All Nb(1)-Nb(1) bond lengths are 3.20 Å. The Nb(1)-Os(2) bond length is 3.52 Å. There is one shorter (3.29 Å) and one longer (3.78 Å) Nb(1)-Pb(1) bond length. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a single-bond geometry to one Os(2) and four equivalent Pb(1) atoms. The Os(1)-Os(2) bond length is 0.53 Å. There are a spread of Os(1)-Pb(1) bond distances ranging from 1.82-2.74 Å. In the second Os site, Os(2) is bonded in a single-bond geometry to one Nb(1), one Os(1), and four equivalent Pb(1) atoms. There are a spread of Os(2)-Pb(1) bond distances ranging from 1.82-2.74 Å. Pb(1) is bonded in a 10-coordinate geometry to two equivalent Nb(1), four equivalent Os(1), and four equivalent Os(2) atoms.