The compound described by Li3SbS3 crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form distorted LiS5 trigonal bipyramids that share corners with two equivalent Li(2)S4 tetrahedra, corners with three equivalent Li(3)S4 tetrahedra, corners with four equivalent Li(1)S5 trigonal bipyramids, edges with two equivalent Li(2)S4 tetrahedra, and edges with two equivalent Li(3)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form LiS4 tetrahedra that share corners with two equivalent Li(2)S4 tetrahedra, corners with five equivalent Li(3)S4 tetrahedra, corners with two equivalent Li(1)S5 trigonal bipyramids, and edges with two equivalent Li(1)S5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted LiS4 tetrahedra that share corners with two equivalent Li(3)S4 tetrahedra, corners with five equivalent Li(2)S4 tetrahedra, corners with three equivalent Li(1)S5 trigonal bipyramids, and edges with two equivalent Li(1)S5 trigonal bipyramids. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Sb(1) atom to form distorted SLi4Sb trigonal bipyramids that share corners with two equivalent S(2)Li5Sb pentagonal pyramids, corners with four equivalent S(3)Li4Sb square pyramids, corners with two equivalent S(1)Li4Sb trigonal bipyramids, edges with three equivalent S(2)Li5Sb pentagonal pyramids, and  an edgeedge with one S(3)Li4Sb square pyramid. In the second S site, S(2) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(3), and one Sb(1) atom to form distorted SLi5Sb pentagonal pyramids that share corners with four equivalent S(2)Li5Sb pentagonal pyramids, corners with three equivalent S(3)Li4Sb square pyramids, corners with two equivalent S(1)Li4Sb trigonal bipyramids, edges with two equivalent S(3)Li4Sb square pyramids, and edges with three equivalent S(1)Li4Sb trigonal bipyramids. In the third S site, S(3) is bonded to one Li(1), one Li(3), two equivalent Li(2), and one Sb(1) atom to form distorted SLi4Sb square pyramids that share corners with three equivalent S(2)Li5Sb pentagonal pyramids, corners with two equivalent S(3)Li4Sb square pyramids, corners with four equivalent S(1)Li4Sb trigonal bipyramids, edges with two equivalent S(2)Li5Sb pentagonal pyramids, and  an edgeedge with one S(1)Li4Sb trigonal bipyramid. is represented by the CIF file [CIF]
data_Li3SbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.787
_cell_length_b   7.962
_cell_length_c   10.105
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   546.061
_cell_formula_units_Z   4
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  0.542  0.558  0.275  1.0
  Li  Li1  1  0.458  0.442  0.775  1.0
  Li  Li2  1  0.042  0.942  0.775  1.0
  Li  Li3  1  0.958  0.058  0.275  1.0
  Li  Li4  1  0.155  0.411  0.318  1.0
  Li  Li5  1  0.845  0.589  0.818  1.0
  Li  Li6  1  0.655  0.089  0.818  1.0
  Li  Li7  1  0.345  0.911  0.318  1.0
  Li  Li8  1  0.126  0.258  0.615  1.0
  Li  Li9  1  0.874  0.742  0.115  1.0
  Li  Li10  1  0.626  0.242  0.115  1.0
  Li  Li11  1  0.374  0.758  0.615  1.0
  Sb  Sb12  1  0.606  0.235  0.500  1.0
  Sb  Sb13  1  0.394  0.765  0.000  1.0
  Sb  Sb14  1  0.106  0.265  0.000  1.0
  Sb  Sb15  1  0.894  0.735  0.500  1.0
  S  S16  1  0.805  0.338  0.316  1.0
  S  S17  1  0.195  0.662  0.816  1.0
  S  S18  1  0.305  0.162  0.816  1.0
  S  S19  1  0.695  0.838  0.316  1.0
  S  S20  1  0.364  0.464  0.508  1.0
  S  S21  1  0.636  0.536  0.008  1.0
  S  S22  1  0.864  0.036  0.008  1.0
  S  S23  1  0.136  0.964  0.508  1.0
  S  S24  1  0.797  0.322  0.693  1.0
  S  S25  1  0.203  0.678  0.193  1.0
  S  S26  1  0.297  0.178  0.193  1.0
  S  S27  1  0.703  0.822  0.693  1.0
[/CIF]
.
The compound described by Li3SbS3 crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form distorted LiS5 trigonal bipyramids that share corners with two equivalent Li(2)S4 tetrahedra, corners with three equivalent Li(3)S4 tetrahedra, corners with four equivalent Li(1)S5 trigonal bipyramids, edges with two equivalent Li(2)S4 tetrahedra, and edges with two equivalent Li(3)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form LiS4 tetrahedra that share corners with two equivalent Li(2)S4 tetrahedra, corners with five equivalent Li(3)S4 tetrahedra, corners with two equivalent Li(1)S5 trigonal bipyramids, and edges with two equivalent Li(1)S5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted LiS4 tetrahedra that share corners with two equivalent Li(3)S4 tetrahedra, corners with five equivalent Li(2)S4 tetrahedra, corners with three equivalent Li(1)S5 trigonal bipyramids, and edges with two equivalent Li(1)S5 trigonal bipyramids. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Sb(1) atom to form distorted SLi4Sb trigonal bipyramids that share corners with two equivalent S(2)Li5Sb pentagonal pyramids, corners with four equivalent S(3)Li4Sb square pyramids, corners with two equivalent S(1)Li4Sb trigonal bipyramids, edges with three equivalent S(2)Li5Sb pentagonal pyramids, and  an edgeedge with one S(3)Li4Sb square pyramid. In the second S site, S(2) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(3), and one Sb(1) atom to form distorted SLi5Sb pentagonal pyramids that share corners with four equivalent S(2)Li5Sb pentagonal pyramids, corners with three equivalent S(3)Li4Sb square pyramids, corners with two equivalent S(1)Li4Sb trigonal bipyramids, edges with two equivalent S(3)Li4Sb square pyramids, and edges with three equivalent S(1)Li4Sb trigonal bipyramids. In the third S site, S(3) is bonded to one Li(1), one Li(3), two equivalent Li(2), and one Sb(1) atom to form distorted SLi4Sb square pyramids that share corners with three equivalent S(2)Li5Sb pentagonal pyramids, corners with two equivalent S(3)Li4Sb square pyramids, corners with four equivalent S(1)Li4Sb trigonal bipyramids, edges with two equivalent S(2)Li5Sb pentagonal pyramids, and  an edgeedge with one S(1)Li4Sb trigonal bipyramid. is represented by the CIF file [CIF]
data_Li3SbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.787
_cell_length_b   7.962
_cell_length_c   10.105
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   546.061
_cell_formula_units_Z   4
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  0.542  0.558  0.275  1.0
  Li  Li1  1  0.458  0.442  0.775  1.0
  Li  Li2  1  0.042  0.942  0.775  1.0
  Li  Li3  1  0.958  0.058  0.275  1.0
  Li  Li4  1  0.155  0.411  0.318  1.0
  Li  Li5  1  0.845  0.589  0.818  1.0
  Li  Li6  1  0.655  0.089  0.818  1.0
  Li  Li7  1  0.345  0.911  0.318  1.0
  Li  Li8  1  0.126  0.258  0.615  1.0
  Li  Li9  1  0.874  0.742  0.115  1.0
  Li  Li10  1  0.626  0.242  0.115  1.0
  Li  Li11  1  0.374  0.758  0.615  1.0
  Sb  Sb12  1  0.606  0.235  0.500  1.0
  Sb  Sb13  1  0.394  0.765  0.000  1.0
  Sb  Sb14  1  0.106  0.265  0.000  1.0
  Sb  Sb15  1  0.894  0.735  0.500  1.0
  S  S16  1  0.805  0.338  0.316  1.0
  S  S17  1  0.195  0.662  0.816  1.0
  S  S18  1  0.305  0.162  0.816  1.0
  S  S19  1  0.695  0.838  0.316  1.0
  S  S20  1  0.364  0.464  0.508  1.0
  S  S21  1  0.636  0.536  0.008  1.0
  S  S22  1  0.864  0.036  0.008  1.0
  S  S23  1  0.136  0.964  0.508  1.0
  S  S24  1  0.797  0.322  0.693  1.0
  S  S25  1  0.203  0.678  0.193  1.0
  S  S26  1  0.297  0.178  0.193  1.0
  S  S27  1  0.703  0.822  0.693  1.0
[/CIF]
.