data_LiNbPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   8.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbPb2
_chemical_formula_sum   'Li1 Nb1 Pb2'
_cell_volume   90.61
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.48  1.0
  Pb  Pb2  1  0.59  0.59  0.68  1.0
  Pb  Pb3  1  0.59  0.59  0.27  1.0

data_LiNbPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   8.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiNbPb2
_chemical_formula_sum   'Li2 Nb2 Pb4'
_cell_volume   181.22
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Nb  Nb1  2  0.0  0.0  0.48  1.0
  Pb  Pb2  2  0.09  0.5  0.27  1.0
  Pb  Pb3  2  0.09  0.5  0.68  1.0

Li Nb Pb Pb
LiNbPb2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 4-coordinate geometry to one Pb(1) and three equivalent Pb(2) atoms. The Li(1)-Pb(1) bond length is 3.38 Å. There is one shorter (3.04 Å) and two longer (3.33 Å) Li(1)-Pb(2) bond lengths. Nb(1) is bonded in a 8-coordinate geometry to four equivalent Pb(1) and four equivalent Pb(2) atoms. There are a spread of Nb(1)-Pb(1) bond distances ranging from 2.61-3.24 Å. There are a spread of Nb(1)-Pb(2) bond distances ranging from 2.61-3.24 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one Li(1) and four equivalent Nb(1) atoms. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to three equivalent Li(1) and four equivalent Nb(1) atoms.