The material described by Li11TiSb5 crystallizes in the monoclinic Cm space group. There are eleven inequivalent Li sites. In the first Li site, Li(1) is bonded to one Li(7), two equivalent Li(3), one Sb(1), one Sb(5), and two equivalent Sb(3) atoms to form distorted LiLi3Sb4 tetrahedra that share  a cornercorner with one Li(4)Li2Sb4 tetrahedra,  a cornercorner with one Li(5)Li2Sb4 tetrahedra,  a cornercorner with one Li(11)Sb4 tetrahedra, corners with two equivalent Li(6)Li2Sb4 tetrahedra, corners with two equivalent Li(9)LiSb4 tetrahedra, corners with two equivalent Ti(1)Sb4 tetrahedra, edges with two equivalent Li(5)Li2Sb4 tetrahedra, edges with two equivalent Li(1)Li3Sb4 tetrahedra, edges with two equivalent Li(2)LiSb4 tetrahedra, edges with three equivalent Li(8)Li2Sb4 tetrahedra,  a faceface with one Li(6)Li2Sb4 tetrahedra,  a faceface with one Li(9)LiSb4 tetrahedra, and faces with two equivalent Li(4)Li2Sb4 tetrahedra. In the second Li site, Li(2) is bonded to one Li(3), one Sb(2), one Sb(4), and two equivalent Sb(5) atoms to form distorted LiLiSb4 tetrahedra that share  a cornercorner with one Li(11)Sb4 tetrahedra, corners with two equivalent Li(4)Li2Sb4 tetrahedra, corners with two equivalent Li(5)Li2Sb4 tetrahedra, corners with two equivalent Li(8)Li2Sb4 tetrahedra, corners with two equivalent Li(2)LiSb4 tetrahedra, corners with three equivalent Ti(1)Sb4 tetrahedra,  an edgeedge with one Li(8)Li2Sb4 tetrahedra,  an edgeedge with one Li(9)LiSb4 tetrahedra, edges with two equivalent Li(1)Li3Sb4 tetrahedra, edges with two equivalent Li(11)Sb4 tetrahedra, and faces with two equivalent Li(6)Li2Sb4 tetrahedra. In the third Li site, Li(3) is bonded in a 12-coordinate geometry to one Li(10), one Li(2), one Li(4), one Li(8), two equivalent Li(1), two equivalent Li(6), two equivalent Sb(1), and two equivalent Sb(5) atoms. In the fourth Li site, Li(4) is bonded to one Li(3), one Li(7), one Sb(3), one Sb(4), and two equivalent Sb(1) atoms to form distorted LiLi2Sb4 tetrahedra that share  a cornercorner with one Li(5)Li2Sb4 tetrahedra,  a cornercorner with one Li(1)Li3Sb4 tetrahedra, corners with two equivalent Li(4)Li2Sb4 tetrahedra, corners with two equivalent Li(8)Li2Sb4 tetrahedra, corners with two equivalent Li(2)LiSb4 tetrahedra, corners with two equivalent Li(9)LiSb4 tetrahedra, corners with two equivalent Li(11)Sb4 tetrahedra,  an edgeedge with one Li(9)LiSb4 tetrahedra,  an edgeedge with one Ti(1)Sb4 tetrahedra, edges with two equivalent Li(6)Li2Sb4 tetrahedra,  a faceface with one Li(8)Li2Sb4 tetrahedra, faces with two equivalent Li(5)Li2Sb4 tetrahedra, and faces with two equivalent Li(1)Li3Sb4 tetrahedra. In the fifth Li site, Li(5) is bonded to two equivalent Li(7), one Sb(1), one Sb(3), and two equivalent Sb(4) atoms to form distorted LiLi2Sb4 tetrahedra that share  a cornercorner with one Li(4)Li2Sb4 tetrahedra,  a cornercorner with one Li(6)Li2Sb4 tetrahedra,  a cornercorner with one Li(1)Li3Sb4 tetrahedra, corners with two equivalent Li(2)LiSb4 tetrahedra, corners with two equivalent Li(11)Sb4 tetrahedra, corners with three equivalent Ti(1)Sb4 tetrahedra,  an edgeedge with one Li(11)Sb4 tetrahedra, edges with two equivalent Li(5)Li2Sb4 tetrahedra, edges with two equivalent Li(8)Li2Sb4 tetrahedra, edges with two equivalent Li(1)Li3Sb4 tetrahedra, faces with two equivalent Li(4)Li2Sb4 tetrahedra, and faces with two equivalent Li(9)LiSb4 tetrahedra. In the sixth Li site, Li(6) is bonded to two equivalent Li(3), one Sb(1), one Sb(5), and two equivalent Sb(2) atoms to form distorted LiLi2Sb4 tetrahedra that share  a cornercorner with one Li(5)Li2Sb4 tetrahedra,  a cornercorner with one Li(8)Li2Sb4 tetrahedra, corners with two equivalent Li(1)Li3Sb4 tetrahedra, corners with two equivalent Li(9)LiSb4 tetrahedra, corners with two equivalent Ti(1)Sb4 tetrahedra, corners with three equivalent Li(11)Sb4 tetrahedra,  an edgeedge with one Ti(1)Sb4 tetrahedra, edges with two equivalent Li(4)Li2Sb4 tetrahedra, edges with two equivalent Li(6)Li2Sb4 tetrahedra,  a faceface with one Li(1)Li3Sb4 tetrahedra, faces with two equivalent Li(8)Li2Sb4 tetrahedra, and faces with two equivalent Li(2)LiSb4 tetrahedra. In the seventh Li site, Li(7) is bonded in a 13-coordinate geometry to one Li(1), one Li(4), one Li(8), one Li(9), two equivalent Li(10), two equivalent Li(5), one Sb(5), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the eighth Li site, Li(8) is bonded to one Li(3), one Li(7), one Sb(2), one Sb(5), and two equivalent Sb(1) atoms to form distorted LiLi2Sb4 tetrahedra that share  a cornercorner with one Li(6)Li2Sb4 tetrahedra, corners with two equivalent Li(4)Li2Sb4 tetrahedra, corners with two equivalent Li(8)Li2Sb4 tetrahedra, corners with two equivalent Li(2)LiSb4 tetrahedra, corners with two equivalent Li(9)LiSb4 tetrahedra, corners with two equivalent Ti(1)Sb4 tetrahedra,  an edgeedge with one Li(2)LiSb4 tetrahedra,  an edgeedge with one Li(11)Sb4 tetrahedra, edges with two equivalent Li(5)Li2Sb4 tetrahedra, edges with three equivalent Li(1)Li3Sb4 tetrahedra,  a faceface with one Li(4)Li2Sb4 tetrahedra, and faces with two equivalent Li(6)Li2Sb4 tetrahedra. In the ninth Li site, Li(9) is bonded to one Li(7), one Sb(2), one Sb(4), and two equivalent Sb(3) atoms to form distorted LiLiSb4 tetrahedra that share  a cornercorner with one Ti(1)Sb4 tetrahedra, corners with two equivalent Li(4)Li2Sb4 tetrahedra, corners with two equivalent Li(6)Li2Sb4 tetrahedra, corners with two equivalent Li(8)Li2Sb4 tetrahedra, corners with two equivalent Li(1)Li3Sb4 tetrahedra, corners with two equivalent Li(9)LiSb4 tetrahedra, corners with three equivalent Li(11)Sb4 tetrahedra,  an edgeedge with one Li(4)Li2Sb4 tetrahedra,  an edgeedge with one Li(2)LiSb4 tetrahedra, edges with two equivalent Ti(1)Sb4 tetrahedra,  a faceface with one Li(1)Li3Sb4 tetrahedra, and faces with two equivalent Li(5)Li2Sb4 tetrahedra. In the tenth Li site, Li(10) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Li(7), one Sb(1), one Sb(3), and two equivalent Sb(5) atoms. In the eleventh Li site, Li(11) is bonded to one Sb(2), one Sb(5), and two equivalent Sb(4) atoms to form distorted LiSb4 tetrahedra that share  a cornercorner with one Li(1)Li3Sb4 tetrahedra,  a cornercorner with one Li(2)LiSb4 tetrahedra, corners with two equivalent Li(4)Li2Sb4 tetrahedra, corners with two equivalent Li(5)Li2Sb4 tetrahedra, corners with two equivalent Li(11)Sb4 tetrahedra, corners with three equivalent Li(6)Li2Sb4 tetrahedra, corners with three equivalent Li(9)LiSb4 tetrahedra,  an edgeedge with one Li(5)Li2Sb4 tetrahedra,  an edgeedge with one Li(8)Li2Sb4 tetrahedra, edges with two equivalent Li(2)LiSb4 tetrahedra, and edges with two equivalent Ti(1)Sb4 tetrahedra. Ti(1) is bonded to one Sb(3), one Sb(4), and two equivalent Sb(2) atoms to form distorted TiSb4 tetrahedra that share  a cornercorner with one Li(9)LiSb4 tetrahedra, corners with two equivalent Li(6)Li2Sb4 tetrahedra, corners with two equivalent Li(8)Li2Sb4 tetrahedra, corners with two equivalent Li(1)Li3Sb4 tetrahedra, corners with two equivalent Ti(1)Sb4 tetrahedra, corners with three equivalent Li(5)Li2Sb4 tetrahedra, corners with three equivalent Li(2)LiSb4 tetrahedra,  an edgeedge with one Li(4)Li2Sb4 tetrahedra,  an edgeedge with one Li(6)Li2Sb4 tetrahedra, edges with two equivalent Li(9)LiSb4 tetrahedra, and edges with two equivalent Li(11)Sb4 tetrahedra. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 12-coordinate geometry to one Li(1), one Li(10), one Li(5), one Li(6), two equivalent Li(3), two equivalent Li(4), two equivalent Li(7), and two equivalent Li(8) atoms. In the second Sb site, Sb(2) is bonded in a body-centered cubic geometry to one Li(11), one Li(2), one Li(8), one Li(9), two equivalent Li(6), and two equivalent Ti(1) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to one Li(10), one Li(4), one Li(5), two equivalent Li(1), two equivalent Li(7), two equivalent Li(9), and one Ti(1) atom. In the fourth Sb site, Sb(4) is bonded in a body-centered cubic geometry to one Li(2), one Li(4), one Li(9), two equivalent Li(11), two equivalent Li(5), and one Ti(1) atom. In the fifth Sb site, Sb(5) is bonded in a 11-coordinate geometry to one Li(1), one Li(11), one Li(6), one Li(7), one Li(8), two equivalent Li(10), two equivalent Li(2), and two equivalent Li(3) atoms. is represented by the CIF card [CIF]
data_Li11TiSb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.953
_cell_length_b   7.953
_cell_length_c   11.347
_cell_angle_alpha   63.374
_cell_angle_beta   63.374
_cell_angle_gamma   33.363
_symmetry_Int_Tables_number   1
_cell_volume   348.785
_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  0.198  0.198  0.930  1.0
  Li  Li1  1  0.608  0.608  0.348  1.0
  Li  Li2  1  0.603  0.603  0.098  1.0
  Li  Li3  1  0.604  0.604  0.848  1.0
  Li  Li4  1  0.015  0.015  0.742  1.0
  Li  Li5  1  0.990  0.990  0.256  1.0
  Li  Li6  1  0.397  0.397  0.914  1.0
  Li  Li7  1  0.386  0.386  0.164  1.0
  Li  Li8  1  0.413  0.413  0.644  1.0
  Li  Li9  1  0.797  0.797  0.069  1.0
  Li  Li10  1  0.196  0.196  0.436  1.0
  Ti  Ti11  1  0.797  0.797  0.559  1.0
  Sb  Sb12  1  0.996  0.996  0.003  1.0
  Sb  Sb13  1  0.390  0.390  0.416  1.0
  Sb  Sb14  1  0.808  0.808  0.790  1.0
  Sb  Sb15  1  0.612  0.612  0.598  1.0
  Sb  Sb16  1  0.192  0.192  0.185  1.0
[/CIF]
.
The material described by Li11TiSb5 crystallizes in the monoclinic Cm space group. There are eleven inequivalent Li sites. In the first Li site, Li(1) is bonded to one Li(7), two equivalent Li(3), one Sb(1), one Sb(5), and two equivalent Sb(3) atoms to form distorted LiLi3Sb4 tetrahedra that share  a cornercorner with one Li(4)Li2Sb4 tetrahedra,  a cornercorner with one Li(5)Li2Sb4 tetrahedra,  a cornercorner with one Li(11)Sb4 tetrahedra, corners with two equivalent Li(6)Li2Sb4 tetrahedra, corners with two equivalent Li(9)LiSb4 tetrahedra, corners with two equivalent Ti(1)Sb4 tetrahedra, edges with two equivalent Li(5)Li2Sb4 tetrahedra, edges with two equivalent Li(1)Li3Sb4 tetrahedra, edges with two equivalent Li(2)LiSb4 tetrahedra, edges with three equivalent Li(8)Li2Sb4 tetrahedra,  a faceface with one Li(6)Li2Sb4 tetrahedra,  a faceface with one Li(9)LiSb4 tetrahedra, and faces with two equivalent Li(4)Li2Sb4 tetrahedra. In the second Li site, Li(2) is bonded to one Li(3), one Sb(2), one Sb(4), and two equivalent Sb(5) atoms to form distorted LiLiSb4 tetrahedra that share  a cornercorner with one Li(11)Sb4 tetrahedra, corners with two equivalent Li(4)Li2Sb4 tetrahedra, corners with two equivalent Li(5)Li2Sb4 tetrahedra, corners with two equivalent Li(8)Li2Sb4 tetrahedra, corners with two equivalent Li(2)LiSb4 tetrahedra, corners with three equivalent Ti(1)Sb4 tetrahedra,  an edgeedge with one Li(8)Li2Sb4 tetrahedra,  an edgeedge with one Li(9)LiSb4 tetrahedra, edges with two equivalent Li(1)Li3Sb4 tetrahedra, edges with two equivalent Li(11)Sb4 tetrahedra, and faces with two equivalent Li(6)Li2Sb4 tetrahedra. In the third Li site, Li(3) is bonded in a 12-coordinate geometry to one Li(10), one Li(2), one Li(4), one Li(8), two equivalent Li(1), two equivalent Li(6), two equivalent Sb(1), and two equivalent Sb(5) atoms. In the fourth Li site, Li(4) is bonded to one Li(3), one Li(7), one Sb(3), one Sb(4), and two equivalent Sb(1) atoms to form distorted LiLi2Sb4 tetrahedra that share  a cornercorner with one Li(5)Li2Sb4 tetrahedra,  a cornercorner with one Li(1)Li3Sb4 tetrahedra, corners with two equivalent Li(4)Li2Sb4 tetrahedra, corners with two equivalent Li(8)Li2Sb4 tetrahedra, corners with two equivalent Li(2)LiSb4 tetrahedra, corners with two equivalent Li(9)LiSb4 tetrahedra, corners with two equivalent Li(11)Sb4 tetrahedra,  an edgeedge with one Li(9)LiSb4 tetrahedra,  an edgeedge with one Ti(1)Sb4 tetrahedra, edges with two equivalent Li(6)Li2Sb4 tetrahedra,  a faceface with one Li(8)Li2Sb4 tetrahedra, faces with two equivalent Li(5)Li2Sb4 tetrahedra, and faces with two equivalent Li(1)Li3Sb4 tetrahedra. In the fifth Li site, Li(5) is bonded to two equivalent Li(7), one Sb(1), one Sb(3), and two equivalent Sb(4) atoms to form distorted LiLi2Sb4 tetrahedra that share  a cornercorner with one Li(4)Li2Sb4 tetrahedra,  a cornercorner with one Li(6)Li2Sb4 tetrahedra,  a cornercorner with one Li(1)Li3Sb4 tetrahedra, corners with two equivalent Li(2)LiSb4 tetrahedra, corners with two equivalent Li(11)Sb4 tetrahedra, corners with three equivalent Ti(1)Sb4 tetrahedra,  an edgeedge with one Li(11)Sb4 tetrahedra, edges with two equivalent Li(5)Li2Sb4 tetrahedra, edges with two equivalent Li(8)Li2Sb4 tetrahedra, edges with two equivalent Li(1)Li3Sb4 tetrahedra, faces with two equivalent Li(4)Li2Sb4 tetrahedra, and faces with two equivalent Li(9)LiSb4 tetrahedra. In the sixth Li site, Li(6) is bonded to two equivalent Li(3), one Sb(1), one Sb(5), and two equivalent Sb(2) atoms to form distorted LiLi2Sb4 tetrahedra that share  a cornercorner with one Li(5)Li2Sb4 tetrahedra,  a cornercorner with one Li(8)Li2Sb4 tetrahedra, corners with two equivalent Li(1)Li3Sb4 tetrahedra, corners with two equivalent Li(9)LiSb4 tetrahedra, corners with two equivalent Ti(1)Sb4 tetrahedra, corners with three equivalent Li(11)Sb4 tetrahedra,  an edgeedge with one Ti(1)Sb4 tetrahedra, edges with two equivalent Li(4)Li2Sb4 tetrahedra, edges with two equivalent Li(6)Li2Sb4 tetrahedra,  a faceface with one Li(1)Li3Sb4 tetrahedra, faces with two equivalent Li(8)Li2Sb4 tetrahedra, and faces with two equivalent Li(2)LiSb4 tetrahedra. In the seventh Li site, Li(7) is bonded in a 13-coordinate geometry to one Li(1), one Li(4), one Li(8), one Li(9), two equivalent Li(10), two equivalent Li(5), one Sb(5), two equivalent Sb(1), and two equivalent Sb(3) atoms. In the eighth Li site, Li(8) is bonded to one Li(3), one Li(7), one Sb(2), one Sb(5), and two equivalent Sb(1) atoms to form distorted LiLi2Sb4 tetrahedra that share  a cornercorner with one Li(6)Li2Sb4 tetrahedra, corners with two equivalent Li(4)Li2Sb4 tetrahedra, corners with two equivalent Li(8)Li2Sb4 tetrahedra, corners with two equivalent Li(2)LiSb4 tetrahedra, corners with two equivalent Li(9)LiSb4 tetrahedra, corners with two equivalent Ti(1)Sb4 tetrahedra,  an edgeedge with one Li(2)LiSb4 tetrahedra,  an edgeedge with one Li(11)Sb4 tetrahedra, edges with two equivalent Li(5)Li2Sb4 tetrahedra, edges with three equivalent Li(1)Li3Sb4 tetrahedra,  a faceface with one Li(4)Li2Sb4 tetrahedra, and faces with two equivalent Li(6)Li2Sb4 tetrahedra. In the ninth Li site, Li(9) is bonded to one Li(7), one Sb(2), one Sb(4), and two equivalent Sb(3) atoms to form distorted LiLiSb4 tetrahedra that share  a cornercorner with one Ti(1)Sb4 tetrahedra, corners with two equivalent Li(4)Li2Sb4 tetrahedra, corners with two equivalent Li(6)Li2Sb4 tetrahedra, corners with two equivalent Li(8)Li2Sb4 tetrahedra, corners with two equivalent Li(1)Li3Sb4 tetrahedra, corners with two equivalent Li(9)LiSb4 tetrahedra, corners with three equivalent Li(11)Sb4 tetrahedra,  an edgeedge with one Li(4)Li2Sb4 tetrahedra,  an edgeedge with one Li(2)LiSb4 tetrahedra, edges with two equivalent Ti(1)Sb4 tetrahedra,  a faceface with one Li(1)Li3Sb4 tetrahedra, and faces with two equivalent Li(5)Li2Sb4 tetrahedra. In the tenth Li site, Li(10) is bonded in a 4-coordinate geometry to one Li(3), two equivalent Li(7), one Sb(1), one Sb(3), and two equivalent Sb(5) atoms. In the eleventh Li site, Li(11) is bonded to one Sb(2), one Sb(5), and two equivalent Sb(4) atoms to form distorted LiSb4 tetrahedra that share  a cornercorner with one Li(1)Li3Sb4 tetrahedra,  a cornercorner with one Li(2)LiSb4 tetrahedra, corners with two equivalent Li(4)Li2Sb4 tetrahedra, corners with two equivalent Li(5)Li2Sb4 tetrahedra, corners with two equivalent Li(11)Sb4 tetrahedra, corners with three equivalent Li(6)Li2Sb4 tetrahedra, corners with three equivalent Li(9)LiSb4 tetrahedra,  an edgeedge with one Li(5)Li2Sb4 tetrahedra,  an edgeedge with one Li(8)Li2Sb4 tetrahedra, edges with two equivalent Li(2)LiSb4 tetrahedra, and edges with two equivalent Ti(1)Sb4 tetrahedra. Ti(1) is bonded to one Sb(3), one Sb(4), and two equivalent Sb(2) atoms to form distorted TiSb4 tetrahedra that share  a cornercorner with one Li(9)LiSb4 tetrahedra, corners with two equivalent Li(6)Li2Sb4 tetrahedra, corners with two equivalent Li(8)Li2Sb4 tetrahedra, corners with two equivalent Li(1)Li3Sb4 tetrahedra, corners with two equivalent Ti(1)Sb4 tetrahedra, corners with three equivalent Li(5)Li2Sb4 tetrahedra, corners with three equivalent Li(2)LiSb4 tetrahedra,  an edgeedge with one Li(4)Li2Sb4 tetrahedra,  an edgeedge with one Li(6)Li2Sb4 tetrahedra, edges with two equivalent Li(9)LiSb4 tetrahedra, and edges with two equivalent Li(11)Sb4 tetrahedra. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 12-coordinate geometry to one Li(1), one Li(10), one Li(5), one Li(6), two equivalent Li(3), two equivalent Li(4), two equivalent Li(7), and two equivalent Li(8) atoms. In the second Sb site, Sb(2) is bonded in a body-centered cubic geometry to one Li(11), one Li(2), one Li(8), one Li(9), two equivalent Li(6), and two equivalent Ti(1) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to one Li(10), one Li(4), one Li(5), two equivalent Li(1), two equivalent Li(7), two equivalent Li(9), and one Ti(1) atom. In the fourth Sb site, Sb(4) is bonded in a body-centered cubic geometry to one Li(2), one Li(4), one Li(9), two equivalent Li(11), two equivalent Li(5), and one Ti(1) atom. In the fifth Sb site, Sb(5) is bonded in a 11-coordinate geometry to one Li(1), one Li(11), one Li(6), one Li(7), one Li(8), two equivalent Li(10), two equivalent Li(2), and two equivalent Li(3) atoms. is represented by the CIF card [CIF]
data_Li11TiSb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.953
_cell_length_b   7.953
_cell_length_c   11.347
_cell_angle_alpha   63.374
_cell_angle_beta   63.374
_cell_angle_gamma   33.363
_symmetry_Int_Tables_number   1
_cell_volume   348.785
_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  0.198  0.198  0.930  1.0
  Li  Li1  1  0.608  0.608  0.348  1.0
  Li  Li2  1  0.603  0.603  0.098  1.0
  Li  Li3  1  0.604  0.604  0.848  1.0
  Li  Li4  1  0.015  0.015  0.742  1.0
  Li  Li5  1  0.990  0.990  0.256  1.0
  Li  Li6  1  0.397  0.397  0.914  1.0
  Li  Li7  1  0.386  0.386  0.164  1.0
  Li  Li8  1  0.413  0.413  0.644  1.0
  Li  Li9  1  0.797  0.797  0.069  1.0
  Li  Li10  1  0.196  0.196  0.436  1.0
  Ti  Ti11  1  0.797  0.797  0.559  1.0
  Sb  Sb12  1  0.996  0.996  0.003  1.0
  Sb  Sb13  1  0.390  0.390  0.416  1.0
  Sb  Sb14  1  0.808  0.808  0.790  1.0
  Sb  Sb15  1  0.612  0.612  0.598  1.0
  Sb  Sb16  1  0.192  0.192  0.185  1.0
[/CIF]
.