data_LiPbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPbCl2
_chemical_formula_sum   'Li1 Pb1 Cl2'
_cell_volume   96.68
_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  Li2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.64  0.64  0.64  1.0
  Cl  Cl0  1  0.82  0.82  0.82  1.0
  Cl  Cl1  1  0.46  0.46  0.46  1.0

data_LiPbCl2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiPbCl2
_chemical_formula_sum   'Li3 Pb3 Cl6'
_cell_volume   290.03
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Pb  Pb1  3  0.0  0.0  0.36  1.0
  Cl  Cl2  3  0.0  0.0  0.18  1.0
  Cl  Cl3  3  0.0  0.0  0.54  1.0

Li Pb Cl Cl
LiPbCl2 crystallizes in the trigonal R3m space group. Li(1) is bonded to three equivalent Pb(1) and one Cl(1) atom to form distorted LiPb3Cl trigonal pyramids that share  a cornercorner with one Pb(1)Li3Cl2 trigonal bipyramid and corners with six equivalent Li(1)Pb3Cl trigonal pyramids. All Li(1)-Pb(1) bond lengths are 2.99 Å. The Li(1)-Cl(1) bond length is 2.25 Å. Pb(1) is bonded to three equivalent Li(1), one Cl(1), and one Cl(2) atom to form distorted PbLi3Cl2 trigonal bipyramids that share corners with six equivalent Pb(1)Li3Cl2 trigonal bipyramids and  a cornercorner with one Li(1)Pb3Cl trigonal pyramid. The Pb(1)-Cl(1) bond length is 2.25 Å. The Pb(1)-Cl(2) bond length is 2.25 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a linear geometry to one Li(1) and one Pb(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Pb(1) atom.