The crystal structure described by Pb4Sb4S11 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one S(2), two equivalent S(3), and two equivalent S(4) atoms to form PbS5 square pyramids that share edges with two equivalent Pb(1)S5 square pyramids, edges with two equivalent Sb(1)S5 square pyramids, and edges with two equivalent Sb(2)S5 square pyramids. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one S(4), two equivalent S(2), and two equivalent S(5) atoms to form SbS5 square pyramids that share corners with two equivalent Sb(2)S5 square pyramids,  an edgeedge with one Sb(2)S5 square pyramid, edges with two equivalent Pb(1)S5 square pyramids, and edges with two equivalent Sb(1)S5 square pyramids. In the second Sb site, Sb(2) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form SbS5 square pyramids that share corners with two equivalent Sb(1)S5 square pyramids,  an edgeedge with one Sb(1)S5 square pyramid, edges with two equivalent Pb(1)S5 square pyramids, and edges with two equivalent Sb(2)S5 square pyramids. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Pb(2) and two equivalent Sb(2) atoms. In the second S site, S(2) is bonded to one Pb(1), two equivalent Sb(1), and two equivalent Sb(2) atoms to form SSb4Pb square pyramids that share edges with two equivalent S(2)Sb4Pb square pyramids and edges with two equivalent S(3)SbPb4 square pyramids. In the third S site, S(3) is bonded to two equivalent Pb(1), two equivalent Pb(2), and one Sb(2) atom to form distorted SSbPb4 square pyramids that share edges with two equivalent S(2)Sb4Pb square pyramids and edges with two equivalent S(3)SbPb4 square pyramids. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Pb(1), two equivalent Pb(2), and one Sb(1) atom. In the fifth S site, S(5) is bonded in a water-like geometry to two equivalent Sb(1) atoms. In the sixth S site, S(6) is bonded in a square co-planar geometry to four equivalent Pb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sb4Pb4S11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.950
_cell_length_b   15.659
_cell_length_c   15.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   981.650
_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
  Sb  Sb0  1  0.500  0.867  0.486  1.0
  Sb  Sb1  1  0.500  0.004  0.273  1.0
  Sb  Sb2  1  0.500  0.996  0.727  1.0
  Sb  Sb3  1  0.500  0.633  0.986  1.0
  Sb  Sb4  1  0.500  0.496  0.773  1.0
  Sb  Sb5  1  0.500  0.504  0.227  1.0
  Sb  Sb6  1  0.500  0.133  0.514  1.0
  Sb  Sb7  1  0.500  0.367  0.014  1.0
  Pb  Pb8  1  0.000  0.262  0.816  1.0
  Pb  Pb9  1  0.000  0.738  0.184  1.0
  Pb  Pb10  1  0.000  0.238  0.316  1.0
  Pb  Pb11  1  0.000  0.885  0.935  1.0
  Pb  Pb12  1  0.000  0.615  0.435  1.0
  Pb  Pb13  1  0.000  0.385  0.565  1.0
  Pb  Pb14  1  0.000  0.115  0.065  1.0
  Pb  Pb15  1  0.000  0.762  0.684  1.0
  S  S16  1  0.000  0.455  0.324  1.0
  S  S17  1  0.000  0.426  0.896  1.0
  S  S18  1  0.000  0.074  0.396  1.0
  S  S19  1  0.500  0.353  0.708  1.0
  S  S20  1  0.500  0.147  0.208  1.0
  S  S21  1  0.000  0.574  0.104  1.0
  S  S22  1  0.500  0.853  0.792  1.0
  S  S23  1  0.500  0.275  0.448  1.0
  S  S24  1  0.000  0.330  0.115  1.0
  S  S25  1  0.000  0.670  0.885  1.0
  S  S26  1  0.500  0.775  0.052  1.0
  S  S27  1  0.000  0.545  0.676  1.0
  S  S28  1  0.500  0.500  0.500  1.0
  S  S29  1  0.500  0.725  0.552  1.0
  S  S30  1  0.500  0.225  0.948  1.0
  S  S31  1  0.500  0.647  0.292  1.0
  S  S32  1  0.000  0.830  0.385  1.0
  S  S33  1  0.000  0.045  0.824  1.0
  S  S34  1  0.000  0.170  0.615  1.0
  S  S35  1  0.500  0.000  0.000  1.0
  S  S36  1  0.000  0.955  0.176  1.0
  S  S37  1  0.000  0.926  0.604  1.0
[/CIF]
.
The crystal structure described by Pb4Sb4S11 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one S(2), two equivalent S(3), and two equivalent S(4) atoms to form PbS5 square pyramids that share edges with two equivalent Pb(1)S5 square pyramids, edges with two equivalent Sb(1)S5 square pyramids, and edges with two equivalent Sb(2)S5 square pyramids. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one S(4), two equivalent S(2), and two equivalent S(5) atoms to form SbS5 square pyramids that share corners with two equivalent Sb(2)S5 square pyramids,  an edgeedge with one Sb(2)S5 square pyramid, edges with two equivalent Pb(1)S5 square pyramids, and edges with two equivalent Sb(1)S5 square pyramids. In the second Sb site, Sb(2) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form SbS5 square pyramids that share corners with two equivalent Sb(1)S5 square pyramids,  an edgeedge with one Sb(1)S5 square pyramid, edges with two equivalent Pb(1)S5 square pyramids, and edges with two equivalent Sb(2)S5 square pyramids. There are six inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Pb(2) and two equivalent Sb(2) atoms. In the second S site, S(2) is bonded to one Pb(1), two equivalent Sb(1), and two equivalent Sb(2) atoms to form SSb4Pb square pyramids that share edges with two equivalent S(2)Sb4Pb square pyramids and edges with two equivalent S(3)SbPb4 square pyramids. In the third S site, S(3) is bonded to two equivalent Pb(1), two equivalent Pb(2), and one Sb(2) atom to form distorted SSbPb4 square pyramids that share edges with two equivalent S(2)Sb4Pb square pyramids and edges with two equivalent S(3)SbPb4 square pyramids. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Pb(1), two equivalent Pb(2), and one Sb(1) atom. In the fifth S site, S(5) is bonded in a water-like geometry to two equivalent Sb(1) atoms. In the sixth S site, S(6) is bonded in a square co-planar geometry to four equivalent Pb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sb4Pb4S11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.950
_cell_length_b   15.659
_cell_length_c   15.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   981.650
_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
  Sb  Sb0  1  0.500  0.867  0.486  1.0
  Sb  Sb1  1  0.500  0.004  0.273  1.0
  Sb  Sb2  1  0.500  0.996  0.727  1.0
  Sb  Sb3  1  0.500  0.633  0.986  1.0
  Sb  Sb4  1  0.500  0.496  0.773  1.0
  Sb  Sb5  1  0.500  0.504  0.227  1.0
  Sb  Sb6  1  0.500  0.133  0.514  1.0
  Sb  Sb7  1  0.500  0.367  0.014  1.0
  Pb  Pb8  1  0.000  0.262  0.816  1.0
  Pb  Pb9  1  0.000  0.738  0.184  1.0
  Pb  Pb10  1  0.000  0.238  0.316  1.0
  Pb  Pb11  1  0.000  0.885  0.935  1.0
  Pb  Pb12  1  0.000  0.615  0.435  1.0
  Pb  Pb13  1  0.000  0.385  0.565  1.0
  Pb  Pb14  1  0.000  0.115  0.065  1.0
  Pb  Pb15  1  0.000  0.762  0.684  1.0
  S  S16  1  0.000  0.455  0.324  1.0
  S  S17  1  0.000  0.426  0.896  1.0
  S  S18  1  0.000  0.074  0.396  1.0
  S  S19  1  0.500  0.353  0.708  1.0
  S  S20  1  0.500  0.147  0.208  1.0
  S  S21  1  0.000  0.574  0.104  1.0
  S  S22  1  0.500  0.853  0.792  1.0
  S  S23  1  0.500  0.275  0.448  1.0
  S  S24  1  0.000  0.330  0.115  1.0
  S  S25  1  0.000  0.670  0.885  1.0
  S  S26  1  0.500  0.775  0.052  1.0
  S  S27  1  0.000  0.545  0.676  1.0
  S  S28  1  0.500  0.500  0.500  1.0
  S  S29  1  0.500  0.725  0.552  1.0
  S  S30  1  0.500  0.225  0.948  1.0
  S  S31  1  0.500  0.647  0.292  1.0
  S  S32  1  0.000  0.830  0.385  1.0
  S  S33  1  0.000  0.045  0.824  1.0
  S  S34  1  0.000  0.170  0.615  1.0
  S  S35  1  0.500  0.000  0.000  1.0
  S  S36  1  0.000  0.955  0.176  1.0
  S  S37  1  0.000  0.926  0.604  1.0
[/CIF]
.