data_NbBPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBPb2
_chemical_formula_sum   'Nb1 B1 Pb2'
_cell_volume   82.7
_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  Nb1  1  0.0  0.0  0.21  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.57  0.57  0.52  1.0
  Pb  Pb3  1  0.57  0.57  0.9  1.0

data_NbBPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   8.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbBPb2
_chemical_formula_sum   'Nb2 B2 Pb4'
_cell_volume   165.41
_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  0.21  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.07  0.5  0.52  1.0
  Pb  Pb3  2  0.07  0.5  0.9  1.0

Nb B Pb Pb
NbBPb2 crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a single-bond geometry to one B(1) and four equivalent Pb(1) atoms. The Nb(1)-B(1) bond length is 1.74 Å. There are a spread of Nb(1)-Pb(1) bond distances ranging from 3.25-3.63 Å. B(1) is bonded in a 5-coordinate geometry to one Nb(1) and four equivalent Pb(2) atoms. There are a spread of B(1)-Pb(2) bond distances ranging from 2.11-2.67 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 9-coordinate geometry to four equivalent Nb(1), one Pb(2), and four equivalent Pb(1) atoms. The Pb(1)-Pb(2) bond length is 3.17 Å. All Pb(1)-Pb(1) bond lengths are 3.14 Å. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to four equivalent B(1) and one Pb(1) atom.