data_LiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   104.57
_cell_angle_beta   104.57
_cell_angle_gamma   119.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPb2
_chemical_formula_sum   'Li2 Pb4'
_cell_volume   152.64
_cell_formula_units_Z   2
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  0.42  1.0
  Li  Li1  1  0.0  0.0  0.47  1.0
  Pb  Pb2  1  0.18  0.41  0.0  1.0
  Pb  Pb3  1  0.41  0.18  0.95  1.0
  Pb  Pb4  1  0.78  0.18  0.0  1.0
  Pb  Pb5  1  0.82  0.41  0.95  1.0

data_LiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   104.57
_cell_angle_beta   104.57
_cell_angle_gamma   119.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPb2
_chemical_formula_sum   'Li2 Pb4'
_cell_volume   152.64
_cell_formula_units_Z   2
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  0.42  0.42  0.42  1.0
  Li  Li1  1  0.47  0.47  0.47  1.0
  Pb  Pb2  1  0.13  0.53  0.95  1.0
  Pb  Pb3  1  0.22  0.82  0.0  1.0
  Pb  Pb4  1  0.53  0.77  0.95  1.0
  Pb  Pb5  1  0.82  0.59  0.0  1.0

Li Li Pb Pb Pb Pb
LiPb2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one Li(2), one Pb(3), and one Pb(4) atom. The Li(1)-Li(2) bond length is 0.30 Å. The Li(1)-Pb(3) bond length is 3.18 Å. The Li(1)-Pb(4) bond length is 3.28 Å. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Li(1), one Pb(1), and one Pb(2) atom. The Li(2)-Pb(1) bond length is 2.93 Å. The Li(2)-Pb(2) bond length is 2.71 Å. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one Li(2), one Pb(2), one Pb(3), and one Pb(4) atom. The Pb(1)-Pb(2) bond length is 2.39 Å. The Pb(1)-Pb(3) bond length is 2.07 Å. The Pb(1)-Pb(4) bond length is 2.09 Å. In the second Pb site, Pb(2) is bonded in a distorted single-bond geometry to one Li(2), one Pb(1), one Pb(3), and one Pb(4) atom. The Pb(2)-Pb(3) bond length is 2.09 Å. The Pb(2)-Pb(4) bond length is 2.07 Å. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to one Li(1), one Pb(1), one Pb(2), and one Pb(4) atom. The Pb(3)-Pb(4) bond length is 1.40 Å. In the fourth Pb site, Pb(4) is bonded in a 4-coordinate geometry to one Li(1), one Pb(1), one Pb(2), and one Pb(3) atom.