data_Li2ScPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   3.26
_cell_angle_alpha   104.09
_cell_angle_beta   104.09
_cell_angle_gamma   121.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ScPb
_chemical_formula_sum   'Li2 Sc1 Pb1'
_cell_volume   92.03
_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  0.7  0.7  0.41  1.0
  Li  Li1  1  0.7  0.3  0.41  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.02  0.0  0.0  1.0

data_Li2ScPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.24
_cell_length_c   6.18
_cell_angle_alpha   114.31
_cell_angle_beta   104.09
_cell_angle_gamma   92.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ScPb
_chemical_formula_sum   'Li2 Sc1 Pb1'
_cell_volume   92.03
_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  0.11  0.7  0.39  1.0
  Li  Li1  1  0.72  0.3  0.0  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.02  1.0

Li Li Sc Pb
Li2ScPb crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Sc(1), and one Pb(1) atom. The Li(1)-Li(2) bond length is 2.41 Å. There is one shorter (1.88 Å) and one longer (2.76 Å) Li(1)-Sc(1) bond length. The Li(1)-Pb(1) bond length is 1.91 Å. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Li(1), one Sc(1), and one Pb(1) atom. The Li(2)-Sc(1) bond length is 3.53 Å. The Li(2)-Pb(1) bond length is 3.27 Å. Sc(1) is bonded in a single-bond geometry to one Li(2), two equivalent Li(1), and one Pb(1) atom. The Sc(1)-Pb(1) bond length is 0.13 Å. Pb(1) is bonded in a single-bond geometry to one Li(1), one Li(2), and one Sc(1) atom.