The crystal structure described by Ti20(Sb3Se)3 crystallizes in the monoclinic Pm space group. There are sixteen inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one Sb(5), two equivalent Sb(1), and two equivalent Sb(4) atoms. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to two equivalent Sb(2), two equivalent Sb(3), and one Se(1) atom. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to two equivalent Sb(2), two equivalent Sb(3), and one Se(2) atom. In the fourth Ti site, Ti(4) is bonded in a 5-coordinate geometry to two equivalent Sb(1), two equivalent Sb(4), and one Se(3) atom. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to one Sb(5), two equivalent Sb(1), two equivalent Sb(4), and one Se(1) atom. In the sixth Ti site, Ti(6) is bonded to one Sb(5), two equivalent Sb(2), two equivalent Sb(3), and one Se(1) atom to form distorted TiSb5Se octahedra that share  a faceface with one Ti(13)Sb4Se square pyramid and  a faceface with one Ti(14)Sb5 square pyramid. In the seventh Ti site, Ti(7) is bonded in a 6-coordinate geometry to two equivalent Sb(2), two equivalent Sb(3), one Se(2), and one Se(3) atom. In the eighth Ti site, Ti(8) is bonded in a 6-coordinate geometry to two equivalent Sb(1), two equivalent Sb(4), one Se(2), and one Se(3) atom. In the ninth Ti site, Ti(9) is bonded in a 5-coordinate geometry to one Sb(1), one Sb(2), one Sb(4), one Se(1), and one Se(3) atom. In the tenth Ti site, Ti(10) is bonded in a 5-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), one Sb(5), and one Se(2) atom. In the eleventh Ti site, Ti(11) is bonded in a 5-coordinate geometry to one Sb(2), one Sb(3), one Sb(4), one Se(1), and one Se(3) atom. In the twelfth Ti site, Ti(12) is bonded in a 5-coordinate geometry to one Sb(1), one Sb(3), one Sb(4), one Sb(5), and one Se(2) atom. In the thirteenth Ti site, Ti(13) is bonded to two equivalent Sb(2), two equivalent Sb(4), and one Se(1) atom to form distorted face-sharing TiSb4Se square pyramids. In the fourteenth Ti site, Ti(14) is bonded to one Sb(5), two equivalent Sb(1), and two equivalent Sb(3) atoms to form distorted face-sharing TiSb5 square pyramids. In the fifteenth Ti site, Ti(15) is bonded in a 5-coordinate geometry to two equivalent Sb(2), two equivalent Sb(4), and one Se(3) atom. In the sixteenth Ti site, Ti(16) is bonded in a 5-coordinate geometry to two equivalent Sb(1), two equivalent Sb(3), and one Se(2) atom. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to one Ti(1), one Ti(10), one Ti(12), one Ti(14), one Ti(16), one Ti(4), one Ti(5), one Ti(8), and one Ti(9) atom. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Ti(10), one Ti(11), one Ti(13), one Ti(15), one Ti(2), one Ti(3), one Ti(6), one Ti(7), and one Ti(9) atom. In the third Sb site, Sb(3) is bonded in a 9-coordinate geometry to one Ti(10), one Ti(11), one Ti(12), one Ti(14), one Ti(16), one Ti(2), one Ti(3), one Ti(6), and one Ti(7) atom. In the fourth Sb site, Sb(4) is bonded in a 9-coordinate geometry to one Ti(1), one Ti(11), one Ti(12), one Ti(13), one Ti(15), one Ti(4), one Ti(5), one Ti(8), and one Ti(9) atom. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to one Ti(1), one Ti(14), one Ti(5), one Ti(6), two equivalent Ti(10), and two equivalent Ti(12) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 8-coordinate geometry to one Ti(13), one Ti(2), one Ti(5), one Ti(6), two equivalent Ti(11), and two equivalent Ti(9) atoms. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to one Ti(16), one Ti(3), one Ti(7), one Ti(8), two equivalent Ti(10), and two equivalent Ti(12) atoms. In the third Se site, Se(3) is bonded in a 8-coordinate geometry to one Ti(15), one Ti(4), one Ti(7), one Ti(8), two equivalent Ti(11), and two equivalent Ti(9) atoms. is represented by the CIF file [CIF]
data_Ti20(Sb3Se)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.983
_cell_length_b   8.287
_cell_length_c   10.194
_cell_angle_alpha   90.000
_cell_angle_beta   89.909
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   589.910
_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
  Ti  Ti0  1  0.834  0.750  0.226  1.0
  Ti  Ti1  1  0.653  0.750  0.712  1.0
  Ti  Ti2  1  0.150  0.250  0.788  1.0
  Ti  Ti3  1  0.348  0.250  0.291  1.0
  Ti  Ti4  1  0.328  0.750  0.273  1.0
  Ti  Ti5  1  0.182  0.750  0.760  1.0
  Ti  Ti6  1  0.668  0.250  0.724  1.0
  Ti  Ti7  1  0.833  0.250  0.226  1.0
  Ti  Ti8  1  0.690  0.948  0.444  1.0
  Ti  Ti9  1  0.802  0.541  0.943  1.0
  Ti  Ti10  1  0.308  0.448  0.554  1.0
  Ti  Ti11  1  0.196  0.067  0.057  1.0
  Ti  Ti12  1  0.308  0.052  0.554  1.0
  Ti  Ti13  1  0.196  0.433  0.057  1.0
  Ti  Ti14  1  0.690  0.552  0.444  1.0
  Ti  Ti15  1  0.802  0.959  0.943  1.0
  Ti  Ti16  1  0.030  0.750  0.496  1.0
  Ti  Ti17  1  0.485  0.750  0.994  1.0
  Ti  Ti18  1  0.970  0.250  0.504  1.0
  Ti  Ti19  1  0.532  0.250  0.001  1.0
  Sb  Sb20  1  0.570  0.507  0.177  1.0
  Sb  Sb21  1  0.928  0.991  0.676  1.0
  Sb  Sb22  1  0.427  0.011  0.823  1.0
  Sb  Sb23  1  0.071  0.490  0.325  1.0
  Sb  Sb24  1  0.427  0.489  0.823  1.0
  Sb  Sb25  1  0.071  0.010  0.325  1.0
  Sb  Sb26  1  0.570  0.993  0.177  1.0
  Sb  Sb27  1  0.928  0.509  0.676  1.0
  Sb  Sb28  1  0.087  0.750  0.024  1.0
  Se  Se29  1  0.417  0.750  0.521  1.0
  Se  Se30  1  0.916  0.250  0.981  1.0
  Se  Se31  1  0.583  0.250  0.482  1.0
[/CIF]
.
The crystal structure described by Ti20(Sb3Se)3 crystallizes in the monoclinic Pm space group. There are sixteen inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one Sb(5), two equivalent Sb(1), and two equivalent Sb(4) atoms. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to two equivalent Sb(2), two equivalent Sb(3), and one Se(1) atom. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to two equivalent Sb(2), two equivalent Sb(3), and one Se(2) atom. In the fourth Ti site, Ti(4) is bonded in a 5-coordinate geometry to two equivalent Sb(1), two equivalent Sb(4), and one Se(3) atom. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to one Sb(5), two equivalent Sb(1), two equivalent Sb(4), and one Se(1) atom. In the sixth Ti site, Ti(6) is bonded to one Sb(5), two equivalent Sb(2), two equivalent Sb(3), and one Se(1) atom to form distorted TiSb5Se octahedra that share  a faceface with one Ti(13)Sb4Se square pyramid and  a faceface with one Ti(14)Sb5 square pyramid. In the seventh Ti site, Ti(7) is bonded in a 6-coordinate geometry to two equivalent Sb(2), two equivalent Sb(3), one Se(2), and one Se(3) atom. In the eighth Ti site, Ti(8) is bonded in a 6-coordinate geometry to two equivalent Sb(1), two equivalent Sb(4), one Se(2), and one Se(3) atom. In the ninth Ti site, Ti(9) is bonded in a 5-coordinate geometry to one Sb(1), one Sb(2), one Sb(4), one Se(1), and one Se(3) atom. In the tenth Ti site, Ti(10) is bonded in a 5-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), one Sb(5), and one Se(2) atom. In the eleventh Ti site, Ti(11) is bonded in a 5-coordinate geometry to one Sb(2), one Sb(3), one Sb(4), one Se(1), and one Se(3) atom. In the twelfth Ti site, Ti(12) is bonded in a 5-coordinate geometry to one Sb(1), one Sb(3), one Sb(4), one Sb(5), and one Se(2) atom. In the thirteenth Ti site, Ti(13) is bonded to two equivalent Sb(2), two equivalent Sb(4), and one Se(1) atom to form distorted face-sharing TiSb4Se square pyramids. In the fourteenth Ti site, Ti(14) is bonded to one Sb(5), two equivalent Sb(1), and two equivalent Sb(3) atoms to form distorted face-sharing TiSb5 square pyramids. In the fifteenth Ti site, Ti(15) is bonded in a 5-coordinate geometry to two equivalent Sb(2), two equivalent Sb(4), and one Se(3) atom. In the sixteenth Ti site, Ti(16) is bonded in a 5-coordinate geometry to two equivalent Sb(1), two equivalent Sb(3), and one Se(2) atom. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to one Ti(1), one Ti(10), one Ti(12), one Ti(14), one Ti(16), one Ti(4), one Ti(5), one Ti(8), and one Ti(9) atom. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Ti(10), one Ti(11), one Ti(13), one Ti(15), one Ti(2), one Ti(3), one Ti(6), one Ti(7), and one Ti(9) atom. In the third Sb site, Sb(3) is bonded in a 9-coordinate geometry to one Ti(10), one Ti(11), one Ti(12), one Ti(14), one Ti(16), one Ti(2), one Ti(3), one Ti(6), and one Ti(7) atom. In the fourth Sb site, Sb(4) is bonded in a 9-coordinate geometry to one Ti(1), one Ti(11), one Ti(12), one Ti(13), one Ti(15), one Ti(4), one Ti(5), one Ti(8), and one Ti(9) atom. In the fifth Sb site, Sb(5) is bonded in a 8-coordinate geometry to one Ti(1), one Ti(14), one Ti(5), one Ti(6), two equivalent Ti(10), and two equivalent Ti(12) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 8-coordinate geometry to one Ti(13), one Ti(2), one Ti(5), one Ti(6), two equivalent Ti(11), and two equivalent Ti(9) atoms. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to one Ti(16), one Ti(3), one Ti(7), one Ti(8), two equivalent Ti(10), and two equivalent Ti(12) atoms. In the third Se site, Se(3) is bonded in a 8-coordinate geometry to one Ti(15), one Ti(4), one Ti(7), one Ti(8), two equivalent Ti(11), and two equivalent Ti(9) atoms. is represented by the CIF file [CIF]
data_Ti20(Sb3Se)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.983
_cell_length_b   8.287
_cell_length_c   10.194
_cell_angle_alpha   90.000
_cell_angle_beta   89.909
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   589.910
_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
  Ti  Ti0  1  0.834  0.750  0.226  1.0
  Ti  Ti1  1  0.653  0.750  0.712  1.0
  Ti  Ti2  1  0.150  0.250  0.788  1.0
  Ti  Ti3  1  0.348  0.250  0.291  1.0
  Ti  Ti4  1  0.328  0.750  0.273  1.0
  Ti  Ti5  1  0.182  0.750  0.760  1.0
  Ti  Ti6  1  0.668  0.250  0.724  1.0
  Ti  Ti7  1  0.833  0.250  0.226  1.0
  Ti  Ti8  1  0.690  0.948  0.444  1.0
  Ti  Ti9  1  0.802  0.541  0.943  1.0
  Ti  Ti10  1  0.308  0.448  0.554  1.0
  Ti  Ti11  1  0.196  0.067  0.057  1.0
  Ti  Ti12  1  0.308  0.052  0.554  1.0
  Ti  Ti13  1  0.196  0.433  0.057  1.0
  Ti  Ti14  1  0.690  0.552  0.444  1.0
  Ti  Ti15  1  0.802  0.959  0.943  1.0
  Ti  Ti16  1  0.030  0.750  0.496  1.0
  Ti  Ti17  1  0.485  0.750  0.994  1.0
  Ti  Ti18  1  0.970  0.250  0.504  1.0
  Ti  Ti19  1  0.532  0.250  0.001  1.0
  Sb  Sb20  1  0.570  0.507  0.177  1.0
  Sb  Sb21  1  0.928  0.991  0.676  1.0
  Sb  Sb22  1  0.427  0.011  0.823  1.0
  Sb  Sb23  1  0.071  0.490  0.325  1.0
  Sb  Sb24  1  0.427  0.489  0.823  1.0
  Sb  Sb25  1  0.071  0.010  0.325  1.0
  Sb  Sb26  1  0.570  0.993  0.177  1.0
  Sb  Sb27  1  0.928  0.509  0.676  1.0
  Sb  Sb28  1  0.087  0.750  0.024  1.0
  Se  Se29  1  0.417  0.750  0.521  1.0
  Se  Se30  1  0.916  0.250  0.981  1.0
  Se  Se31  1  0.583  0.250  0.482  1.0
[/CIF]
.