data_NaBPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   6.06
_cell_angle_alpha   107.62
_cell_angle_beta   107.62
_cell_angle_gamma   48.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBPb2
_chemical_formula_sum   'Na1 B1 Pb2'
_cell_volume   90.22
_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
  Na  Na1  1  0.2  0.0  0.86  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.61  0.0  0.58  1.0
  Pb  Pb3  1  0.78  0.0  0.13  1.0

data_NaBPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.6
_cell_length_c   6.06
_cell_angle_alpha   107.62
_cell_angle_beta   90.0
_cell_angle_gamma   114.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBPb2
_chemical_formula_sum   'Na1 B1 Pb2'
_cell_volume   90.22
_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
  Na  Na0  1  0.0  0.8  0.14  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.22  0.87  1.0
  Pb  Pb3  1  0.0  0.39  0.42  1.0

Na B Pb Pb
Na B Pb Pb 0 1 o o + 0 2 o o o 0 2 - o o 1 3 - o o 1 2 - o - 2 3 o o o 2 3 o o + 
NaBPb2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a distorted single-bond geometry to one B(1), one Pb(2), and three equivalent Pb(1) atoms. The Na(1)-B(1) bond length is 1.44 Å. The Na(1)-Pb(2) bond length is 2.70 Å. There are a spread of Na(1)-Pb(1) bond distances ranging from 2.70-3.63 Å. B(1) is bonded in a distorted linear geometry to one Na(1), one Pb(1), and one Pb(2) atom. The B(1)-Pb(1) bond length is 2.61 Å. The B(1)-Pb(2) bond length is 1.44 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to three equivalent Na(1), one B(1), and one Pb(2) atom. The Pb(1)-Pb(2) bond length is 3.08 Å. In the second Pb site, Pb(2) is bonded in a distorted bent 120 degrees geometry to one Na(1), one B(1), and one Pb(1) atom.