The material structure described by Li10Sn(PSe6)2 crystallizes in the triclinic P1 space group. There are twenty inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one Se(10), one Se(17), one Se(3), one Se(4), and one Se(9) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Se(12), one Se(19), one Se(2), and one Se(20) atom. In the third Li site, Li(3) is bonded to one Se(13), one Se(14), one Se(22), one Se(7), and one Se(8) atom to form distorted LiSe5 square pyramids that share  a cornercorner with one Li(11)Se4 tetrahedra,  a cornercorner with one Li(20)Se4 tetrahedra,  a cornercorner with one Li(9)Se4 tetrahedra,  a cornercorner with one Sn(2)Se4 tetrahedra, corners with two equivalent P(1)Se4 tetrahedra,  a cornercorner with one Li(10)Se5 trigonal bipyramid,  an edgeedge with one Li(15)Se4 tetrahedra,  an edgeedge with one Li(7)Se4 tetrahedra,  an edgeedge with one P(4)Se4 tetrahedra, and  an edgeedge with one Li(18)Se4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one Se(15), one Se(16), one Se(23), one Se(24), one Se(5), and one Se(6) atom to form distorted LiSe6 octahedra that share  a cornercorner with one Li(11)Se4 tetrahedra,  a cornercorner with one Li(12)Se4 tetrahedra,  a cornercorner with one Li(7)Se4 tetrahedra,  a cornercorner with one Li(9)Se4 tetrahedra, corners with two equivalent P(2)Se4 tetrahedra,  an edgeedge with one Li(13)Se4 tetrahedra,  an edgeedge with one Li(14)Se4 tetrahedra,  an edgeedge with one Li(17)Se4 tetrahedra,  an edgeedge with one Li(5)Se4 tetrahedra,  an edgeedge with one Sn(2)Se4 tetrahedra, and  an edgeedge with one P(4)Se4 tetrahedra. In the fifth Li site, Li(5) is bonded to one Se(20), one Se(24), one Se(6), and one Se(9) atom to form distorted LiSe4 tetrahedra that share  a cornercorner with one P(2)Se4 tetrahedra,  a cornercorner with one P(4)Se4 tetrahedra, corners with two equivalent Li(14)Se4 tetrahedra,  an edgeedge with one Li(4)Se6 octahedra,  an edgeedge with one Li(11)Se4 tetrahedra, and  an edgeedge with one Sn(1)Se4 tetrahedra. In the sixth Li site, Li(6) is bonded in a distorted see-saw-like geometry to one Se(13), one Se(19), one Se(2), and one Se(23) atom. In the seventh Li site, Li(7) is bonded to one Se(15), one Se(17), one Se(22), and one Se(7) atom to form distorted LiSe4 tetrahedra that share  a cornercorner with one Li(4)Se6 octahedra,  a cornercorner with one Li(13)Se4 tetrahedra,  a cornercorner with one Li(20)Se4 tetrahedra,  a cornercorner with one P(1)Se4 tetrahedra,  a cornercorner with one P(3)Se4 tetrahedra, corners with two equivalent Li(15)Se4 tetrahedra,  a cornercorner with one Li(10)Se5 trigonal bipyramid,  a cornercorner with one Li(18)Se4 trigonal pyramid,  an edgeedge with one Li(3)Se5 square pyramid, and  an edgeedge with one Sn(2)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one Se(10), one Se(13), one Se(2), one Se(20), and one Se(24) atom. In the ninth Li site, Li(9) is bonded to one Se(1), one Se(14), one Se(19), and one Se(23) atom to form LiSe4 tetrahedra that share  a cornercorner with one Li(4)Se6 octahedra,  a cornercorner with one Li(3)Se5 square pyramid,  a cornercorner with one Sn(1)Se4 tetrahedra,  a cornercorner with one P(1)Se4 tetrahedra, corners with two equivalent Li(11)Se4 tetrahedra,  an edgeedge with one Li(14)Se4 tetrahedra, and  an edgeedge with one P(4)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the tenth Li site, Li(10) is bonded to one Se(11), one Se(21), one Se(22), one Se(3), and one Se(4) atom to form LiSe5 trigonal bipyramids that share  a cornercorner with one Li(3)Se5 square pyramid,  a cornercorner with one Li(13)Se4 tetrahedra,  a cornercorner with one Li(15)Se4 tetrahedra,  a cornercorner with one Li(17)Se4 tetrahedra,  a cornercorner with one Li(7)Se4 tetrahedra,  a cornercorner with one P(3)Se4 tetrahedra, corners with two equivalent Sn(2)Se4 tetrahedra,  a cornercorner with one Li(18)Se4 trigonal pyramid,  an edgeedge with one Li(12)Se4 tetrahedra,  an edgeedge with one Li(20)Se4 tetrahedra, and  an edgeedge with one P(2)Se4 tetrahedra. In the eleventh Li site, Li(11) is bonded to one Se(1), one Se(14), one Se(20), and one Se(24) atom to form distorted LiSe4 tetrahedra that share  a cornercorner with one Li(4)Se6 octahedra,  a cornercorner with one Li(3)Se5 square pyramid,  a cornercorner with one Sn(1)Se4 tetrahedra,  a cornercorner with one P(1)Se4 tetrahedra, corners with two equivalent Li(9)Se4 tetrahedra,  an edgeedge with one Li(5)Se4 tetrahedra, and  an edgeedge with one P(4)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the twelfth Li site, Li(12) is bonded to one Se(16), one Se(18), one Se(21), and one Se(4) atom to form distorted LiSe4 tetrahedra that share  a cornercorner with one Li(4)Se6 octahedra,  a cornercorner with one P(2)Se4 tetrahedra,  a cornercorner with one P(3)Se4 tetrahedra, corners with two equivalent Li(17)Se4 tetrahedra, corners with two equivalent Li(20)Se4 tetrahedra,  an edgeedge with one Sn(2)Se4 tetrahedra, and  an edgeedge with one Li(10)Se5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 73°. In the thirteenth Li site, Li(13) is bonded to one Se(10), one Se(15), one Se(3), and one Se(5) atom to form LiSe4 tetrahedra that share  a cornercorner with one Li(7)Se4 tetrahedra,  a cornercorner with one Sn(1)Se4 tetrahedra,  a cornercorner with one Sn(2)Se4 tetrahedra, corners with two equivalent Li(17)Se4 tetrahedra,  a cornercorner with one Li(10)Se5 trigonal bipyramid,  an edgeedge with one Li(4)Se6 octahedra, and  an edgeedge with one P(2)Se4 tetrahedra. In the fourteenth Li site, Li(14) is bonded to one Se(19), one Se(23), one Se(6), and one Se(9) atom to form distorted LiSe4 tetrahedra that share  a cornercorner with one P(2)Se4 tetrahedra,  a cornercorner with one P(4)Se4 tetrahedra, corners with two equivalent Li(5)Se4 tetrahedra,  an edgeedge with one Li(4)Se6 octahedra,  an edgeedge with one Li(9)Se4 tetrahedra, and  an edgeedge with one Sn(1)Se4 tetrahedra. In the fifteenth Li site, Li(15) is bonded to one Se(12), one Se(17), one Se(22), and one Se(8) atom to form distorted LiSe4 tetrahedra that share  a cornercorner with one Sn(2)Se4 tetrahedra,  a cornercorner with one P(1)Se4 tetrahedra, corners with two equivalent Li(7)Se4 tetrahedra,  a cornercorner with one Li(10)Se5 trigonal bipyramid,  an edgeedge with one Li(3)Se5 square pyramid, and  an edgeedge with one P(3)Se4 tetrahedra. In the sixteenth Li site, Li(16) is bonded in a 5-coordinate geometry to one Se(15), one Se(18), one Se(3), one Se(6), and one Se(9) atom. In the seventeenth Li site, Li(17) is bonded to one Se(10), one Se(16), one Se(4), and one Se(5) atom to form LiSe4 tetrahedra that share  a cornercorner with one Sn(1)Se4 tetrahedra,  a cornercorner with one Sn(2)Se4 tetrahedra, corners with two equivalent Li(12)Se4 tetrahedra, corners with two equivalent Li(13)Se4 tetrahedra,  a cornercorner with one Li(10)Se5 trigonal bipyramid,  an edgeedge with one Li(4)Se6 octahedra, and  an edgeedge with one P(2)Se4 tetrahedra. In the eighteenth Li site, Li(18) is bonded to one Se(11), one Se(13), one Se(2), and one Se(7) atom to form distorted LiSe4 trigonal pyramids that share  a cornercorner with one Li(7)Se4 tetrahedra,  a cornercorner with one P(3)Se4 tetrahedra,  a cornercorner with one P(4)Se4 tetrahedra, corners with two equivalent Li(20)Se4 tetrahedra,  a cornercorner with one Li(10)Se5 trigonal bipyramid,  an edgeedge with one Li(3)Se5 square pyramid, and  an edgeedge with one P(1)Se4 tetrahedra. In the nineteenth Li site, Li(19) is bonded in a 5-coordinate geometry to one Se(1), one Se(12), one Se(18), one Se(21), and one Se(8) atom. In the twentieth Li site, Li(20) is bonded to one Se(11), one Se(18), one Se(21), and one Se(7) atom to form distorted LiSe4 tetrahedra that share  a cornercorner with one Li(3)Se5 square pyramid,  a cornercorner with one Li(7)Se4 tetrahedra,  a cornercorner with one Sn(2)Se4 tetrahedra,  a cornercorner with one P(1)Se4 tetrahedra, corners with two equivalent Li(12)Se4 tetrahedra, corners with two equivalent Li(18)Se4 trigonal pyramids,  an edgeedge with one P(3)Se4 tetrahedra, and  an edgeedge with one Li(10)Se5 trigonal bipyramid. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Se(10), one Se(19), one Se(20), and one Se(9) atom to form distorted SnSe4 tetrahedra that share  a cornercorner with one Li(11)Se4 tetrahedra,  a cornercorner with one Li(13)Se4 tetrahedra,  a cornercorner with one Li(17)Se4 tetrahedra,  a cornercorner with one Li(9)Se4 tetrahedra,  an edgeedge with one Li(14)Se4 tetrahedra, and  an edgeedge with one Li(5)Se4 tetrahedra. In the second Sn site, Sn(2) is bonded to one Se(15), one Se(16), one Se(21), and one Se(22) atom to form distorted SnSe4 tetrahedra that share  a cornercorner with one Li(3)Se5 square pyramid,  a cornercorner with one Li(13)Se4 tetrahedra,  a cornercorner with one Li(15)Se4 tetrahedra,  a cornercorner with one Li(17)Se4 tetrahedra,  a cornercorner with one Li(20)Se4 tetrahedra, corners with two equivalent Li(10)Se5 trigonal bipyramids,  an edgeedge with one Li(4)Se6 octahedra,  an edgeedge with one Li(12)Se4 tetrahedra, and  an edgeedge with one Li(7)Se4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Se(1), one Se(2), one Se(7), and one Se(8) atom to form PSe4 tetrahedra that share corners with two equivalent Li(3)Se5 square pyramids,  a cornercorner with one Li(11)Se4 tetrahedra,  a cornercorner with one Li(15)Se4 tetrahedra,  a cornercorner with one Li(20)Se4 tetrahedra,  a cornercorner with one Li(7)Se4 tetrahedra,  a cornercorner with one Li(9)Se4 tetrahedra, and  an edgeedge with one Li(18)Se4 trigonal pyramid. In the second P site, P(2) is bonded to one Se(3), one Se(4), one Se(5), and one Se(6) atom to form PSe4 tetrahedra that share corners with two equivalent Li(4)Se6 octahedra,  a cornercorner with one Li(12)Se4 tetrahedra,  a cornercorner with one Li(14)Se4 tetrahedra,  a cornercorner with one Li(5)Se4 tetrahedra,  an edgeedge with one Li(13)Se4 tetrahedra,  an edgeedge with one Li(17)Se4 tetrahedra, and  an edgeedge with one Li(10)Se5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 27-55°. In the third P site, P(3) is bonded to one Se(11), one Se(12), one Se(17), and one Se(18) atom to form PSe4 tetrahedra that share  a cornercorner with one Li(12)Se4 tetrahedra,  a cornercorner with one Li(7)Se4 tetrahedra,  a cornercorner with one Li(10)Se5 trigonal bipyramid,  a cornercorner with one Li(18)Se4 trigonal pyramid,  an edgeedge with one Li(15)Se4 tetrahedra, and  an edgeedge with one Li(20)Se4 tetrahedra. In the fourth P site, P(4) is bonded to one Se(13), one Se(14), one Se(23), and one Se(24) atom to form PSe4 tetrahedra that share  a cornercorner with one Li(14)Se4 tetrahedra,  a cornercorner with one Li(5)Se4 tetrahedra,  a cornercorner with one Li(18)Se4 trigonal pyramid,  an edgeedge with one Li(4)Se6 octahedra,  an edgeedge with one Li(3)Se5 square pyramid,  an edgeedge with one Li(11)Se4 tetrahedra, and  an edgeedge with one Li(9)Se4 tetrahedra. There are twenty-four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Li(11), one Li(19), one Li(9), and one P(1) atom. In the second Se site, Se(2) is bonded to one Li(18), one Li(2), one Li(6), one Li(8), and one P(1) atom to form distorted SeLi4P square pyramids that share  a cornercorner with one Se(24)Li4P square pyramid,  a cornercorner with one Se(13)Li4P trigonal bipyramid,  a cornercorner with one Se(23)Li4P trigonal bipyramid,  a cornercorner with one Se(12)Li3P trigonal pyramid,  an edgeedge with one Se(19)Li4Sn square pyramid,  an edgeedge with one Se(20)Li4Sn square pyramid,  an edgeedge with one Se(13)Li4P trigonal bipyramid, and  an edgeedge with one Se(7)Li4P trigonal bipyramid. In the third Se site, Se(3) is bonded to one Li(1), one Li(10), one Li(13), one Li(16), and one P(2) atom to form distorted SeLi4P trigonal bipyramids that share  a cornercorner with one Se(18)Li4P trigonal bipyramid,  a cornercorner with one Se(22)Li4Sn trigonal bipyramid, and  a cornercorner with one Se(17)Li3P trigonal pyramid. In the fourth Se site, Se(4) is bonded in a distorted pentagonal planar geometry to one Li(1), one Li(10), one Li(12), one Li(17), and one P(2) atom. In the fifth Se site, Se(5) is bonded in a 4-coordinate geometry to one Li(13), one Li(17), one Li(4), and one P(2) atom. In the sixth Se site, Se(6) is bonded in a 5-coordinate geometry to one Li(14), one Li(16), one Li(4), one Li(5), and one P(2) atom. In the seventh Se site, Se(7) is bonded to one Li(18), one Li(20), one Li(3), one Li(7), and one P(1) atom to form distorted SeLi4P trigonal bipyramids that share  a cornercorner with one Se(18)Li4P trigonal bipyramid,  a cornercorner with one Se(14)Li3P trigonal pyramid,  a cornercorner with one Se(17)Li3P trigonal pyramid,  an edgeedge with one Se(2)Li4P square pyramid,  an edgeedge with one Se(13)Li4P trigonal bipyramid, and  an edgeedge with one Se(22)Li4Sn trigonal bipyramid. In the eighth Se site, Se(8) is bonded in a distorted see-saw-like geometry to one Li(15), one Li(19), one Li(3), and one P(1) atom. In the ninth Se site, Se(9) is bonded in a 5-coordinate geometry to one Li(1), one Li(14), one Li(16), one Li(5), and one Sn(1) atom. In the tenth Se site, Se(10) is bonded in a 5-coordinate geometry to one Li(1), one Li(13), one Li(17), one Li(8), and one Sn(1) atom. In the eleventh Se site, Se(11) is bonded in a 4-coordinate geometry to one Li(10), one Li(18), one Li(20), and one P(3) atom. In the twelfth Se site, Se(12) is bonded to one Li(15), one Li(19), one Li(2), and one P(3) atom to form SeLi3P trigonal pyramids that share  a cornercorner with one Se(2)Li4P square pyramid,  a cornercorner with one Se(19)Li4Sn square pyramid,  a cornercorner with one Se(20)Li4Sn square pyramid,  a cornercorner with one Se(22)Li4Sn trigonal bipyramid,  an edgeedge with one Se(18)Li4P trigonal bipyramid, and  an edgeedge with one Se(17)Li3P trigonal pyramid. In the thirteenth Se site, Se(13) is bonded to one Li(18), one Li(3), one Li(6), one Li(8), and one P(4) atom to form distorted SeLi4P trigonal bipyramids that share  a cornercorner with one Se(2)Li4P square pyramid,  a cornercorner with one Se(19)Li4Sn square pyramid,  a cornercorner with one Se(20)Li4Sn square pyramid,  a cornercorner with one Se(22)Li4Sn trigonal bipyramid,  an edgeedge with one Se(2)Li4P square pyramid,  an edgeedge with one Se(24)Li4P square pyramid,  an edgeedge with one Se(23)Li4P trigonal bipyramid,  an edgeedge with one Se(7)Li4P trigonal bipyramid, and  an edgeedge with one Se(14)Li3P trigonal pyramid. In the fourteenth Se site, Se(14) is bonded to one Li(11), one Li(3), one Li(9), and one P(4) atom to form SeLi3P trigonal pyramids that share  a cornercorner with one Se(19)Li4Sn square pyramid,  a cornercorner with one Se(20)Li4Sn square pyramid,  a cornercorner with one Se(7)Li4P trigonal bipyramid,  a cornercorner with one Se(22)Li4Sn trigonal bipyramid,  an edgeedge with one Se(24)Li4P square pyramid,  an edgeedge with one Se(13)Li4P trigonal bipyramid, and  an edgeedge with one Se(23)Li4P trigonal bipyramid. In the fifteenth Se site, Se(15) is bonded in a 5-coordinate geometry to one Li(13), one Li(16), one Li(4), one Li(7), and one Sn(2) atom. In the sixteenth Se site, Se(16) is bonded in a distorted see-saw-like geometry to one Li(12), one Li(17), one Li(4), and one Sn(2) atom. In the seventeenth Se site, Se(17) is bonded to one Li(1), one Li(15), one Li(7), and one P(3) atom to form SeLi3P trigonal pyramids that share  a cornercorner with one Se(18)Li4P trigonal bipyramid,  a cornercorner with one Se(3)Li4P trigonal bipyramid,  a cornercorner with one Se(7)Li4P trigonal bipyramid, corners with two equivalent Se(22)Li4Sn trigonal bipyramids, and  an edgeedge with one Se(12)Li3P trigonal pyramid. In the eighteenth Se site, Se(18) is bonded to one Li(12), one Li(16), one Li(19), one Li(20), and one P(3) atom to form distorted SeLi4P trigonal bipyramids that share  a cornercorner with one Se(3)Li4P trigonal bipyramid,  a cornercorner with one Se(7)Li4P trigonal bipyramid,  a cornercorner with one Se(17)Li3P trigonal pyramid, and  an edgeedge with one Se(12)Li3P trigonal pyramid. In the nineteenth Se site, Se(19) is bonded to one Li(14), one Li(2), one Li(6), one Li(9), and one Sn(1) atom to form distorted SeLi4Sn square pyramids that share  a cornercorner with one Se(13)Li4P trigonal bipyramid,  a cornercorner with one Se(23)Li4P trigonal bipyramid,  a cornercorner with one Se(12)Li3P trigonal pyramid,  a cornercorner with one Se(14)Li3P trigonal pyramid,  an edgeedge with one Se(2)Li4P square pyramid,  an edgeedge with one Se(20)Li4Sn square pyramid, and  an edgeedge with one Se(23)Li4P trigonal bipyramid. In the twentieth Se site, Se(20) is bonded to one Li(11), one Li(2), one Li(5), one Li(8), and one Sn(1) atom to form distorted SeLi4Sn square pyramids that share  a cornercorner with one Se(24)Li4P square pyramid,  a cornercorner with one Se(13)Li4P trigonal bipyramid,  a cornercorner with one Se(12)Li3P trigonal pyramid,  a cornercorner with one Se(14)Li3P trigonal pyramid,  an edgeedge with one Se(2)Li4P square pyramid,  an edgeedge with one Se(24)Li4P square pyramid, and  an edgeedge with one Se(19)Li4Sn square pyramid. In the twenty-first Se site, Se(21) is bonded in a 5-coordinate geometry to one Li(10), one Li(12), one Li(19), one Li(20), and one Sn(2) atom. In the twenty-second Se site, Se(22) is bonded to one Li(10), one Li(15), one Li(3), one Li(7), and one Sn(2) atom to form distorted SeLi4Sn trigonal bipyramids that share  a cornercorner with one Se(13)Li4P trigonal bipyramid,  a cornercorner with one Se(3)Li4P trigonal bipyramid,  a cornercorner with one Se(12)Li3P trigonal pyramid,  a cornercorner with one Se(14)Li3P trigonal pyramid, corners with two equivalent Se(17)Li3P trigonal pyramids, and  an edgeedge with one Se(7)Li4P trigonal bipyramid. In the twenty-third Se site, Se(23) is bonded to one Li(14), one Li(4), one Li(6), one Li(9), and one P(4) atom to form distorted SeLi4P trigonal bipyramids that share  a cornercorner with one Se(2)Li4P square pyramid,  a cornercorner with one Se(19)Li4Sn square pyramid,  an edgeedge with one Se(24)Li4P square pyramid,  an edgeedge with one Se(19)Li4Sn square pyramid,  an edgeedge with one Se(13)Li4P trigonal bipyramid, and  an edgeedge with one Se(14)Li3P trigonal pyramid. In the twenty-fourth Se site, Se(24) is bonded to one Li(11), one Li(4), one Li(5), one Li(8), and one P(4) atom to form distorted SeLi4P square pyramids that share  a cornercorner with one Se(2)Li4P square pyramid,  a cornercorner with one Se(20)Li4Sn square pyramid,  an edgeedge with one Se(20)Li4Sn square pyramid,  an edgeedge with one Se(13)Li4P trigonal bipyramid,  an edgeedge with one Se(23)Li4P trigonal bipyramid, and  an edgeedge with one Se(14)Li3P trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li10Sn(PSe6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.083
_cell_length_b   9.434
_cell_length_c   13.796
_cell_angle_alpha   92.060
_cell_angle_beta   90.715
_cell_angle_gamma   90.176
_symmetry_Int_Tables_number   1
_cell_volume   1181.372
_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
  Li  Li0  1  0.989  0.516  0.952  1.0
  Li  Li1  1  0.965  0.517  0.428  1.0
  Li  Li2  1  0.510  0.965  0.545  1.0
  Li  Li3  1  0.497  0.994  0.052  1.0
  Li  Li4  1  0.259  0.289  0.159  1.0
  Li  Li5  1  0.743  0.748  0.283  1.0
  Li  Li6  1  0.215  0.816  0.755  1.0
  Li  Li7  1  0.233  0.758  0.253  1.0
  Li  Li8  1  0.752  0.217  0.351  1.0
  Li  Li9  1  0.462  0.513  0.751  1.0
  Li  Li10  1  0.231  0.225  0.366  1.0
  Li  Li11  1  0.736  0.259  0.857  1.0
  Li  Li12  1  0.248  0.760  0.006  1.0
  Li  Li13  1  0.740  0.262  0.132  1.0
  Li  Li14  1  0.765  0.725  0.688  1.0
  Li  Li15  1  0.222  0.262  0.920  1.0
  Li  Li16  1  0.746  0.760  0.009  1.0
  Li  Li17  1  0.242  0.721  0.484  1.0
  Li  Li18  1  0.785  0.216  0.625  1.0
  Li  Li19  1  0.240  0.213  0.649  1.0
  Sn  Sn20  1  0.996  0.490  0.183  1.0
  Sn  Sn21  1  0.511  0.991  0.816  1.0
  P  P22  1  0.992  0.966  0.502  1.0
  P  P23  1  0.492  0.515  0.993  1.0
  P  P24  1  0.009  0.482  0.684  1.0
  P  P25  1  0.488  0.010  0.311  1.0
  Se  Se26  1  0.988  0.182  0.444  1.0
  Se  Se27  1  0.006  0.790  0.387  1.0
  Se  Se28  1  0.290  0.534  0.899  1.0
  Se  Se29  1  0.689  0.534  0.897  1.0
  Se  Se30  1  0.496  0.698  0.100  1.0
  Se  Se31  1  0.486  0.306  0.060  1.0
  Se  Se32  1  0.201  0.945  0.590  1.0
  Se  Se33  1  0.796  0.946  0.593  1.0
  Se  Se34  1  0.006  0.281  0.058  1.0
  Se  Se35  1  0.001  0.726  0.098  1.0
  Se  Se36  1  0.217  0.485  0.599  1.0
  Se  Se37  1  0.811  0.492  0.587  1.0
  Se  Se38  1  0.486  0.797  0.375  1.0
  Se  Se39  1  0.496  0.182  0.426  1.0
  Se  Se40  1  0.268  0.989  0.911  1.0
  Se  Se41  1  0.732  0.003  0.930  1.0
  Se  Se42  1  0.991  0.665  0.791  1.0
  Se  Se43  1  0.004  0.276  0.760  1.0
  Se  Se44  1  0.762  0.466  0.280  1.0
  Se  Se45  1  0.217  0.479  0.299  1.0
  Se  Se46  1  0.519  0.216  0.715  1.0
  Se  Se47  1  0.489  0.782  0.692  1.0
  Se  Se48  1  0.690  0.014  0.219  1.0
  Se  Se49  1  0.288  0.031  0.217  1.0
[/CIF]
.
The material structure described by Li10Sn(PSe6)2 crystallizes in the triclinic P1 space group. There are twenty inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one Se(10), one Se(17), one Se(3), one Se(4), and one Se(9) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Se(12), one Se(19), one Se(2), and one Se(20) atom. In the third Li site, Li(3) is bonded to one Se(13), one Se(14), one Se(22), one Se(7), and one Se(8) atom to form distorted LiSe5 square pyramids that share  a cornercorner with one Li(11)Se4 tetrahedra,  a cornercorner with one Li(20)Se4 tetrahedra,  a cornercorner with one Li(9)Se4 tetrahedra,  a cornercorner with one Sn(2)Se4 tetrahedra, corners with two equivalent P(1)Se4 tetrahedra,  a cornercorner with one Li(10)Se5 trigonal bipyramid,  an edgeedge with one Li(15)Se4 tetrahedra,  an edgeedge with one Li(7)Se4 tetrahedra,  an edgeedge with one P(4)Se4 tetrahedra, and  an edgeedge with one Li(18)Se4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one Se(15), one Se(16), one Se(23), one Se(24), one Se(5), and one Se(6) atom to form distorted LiSe6 octahedra that share  a cornercorner with one Li(11)Se4 tetrahedra,  a cornercorner with one Li(12)Se4 tetrahedra,  a cornercorner with one Li(7)Se4 tetrahedra,  a cornercorner with one Li(9)Se4 tetrahedra, corners with two equivalent P(2)Se4 tetrahedra,  an edgeedge with one Li(13)Se4 tetrahedra,  an edgeedge with one Li(14)Se4 tetrahedra,  an edgeedge with one Li(17)Se4 tetrahedra,  an edgeedge with one Li(5)Se4 tetrahedra,  an edgeedge with one Sn(2)Se4 tetrahedra, and  an edgeedge with one P(4)Se4 tetrahedra. In the fifth Li site, Li(5) is bonded to one Se(20), one Se(24), one Se(6), and one Se(9) atom to form distorted LiSe4 tetrahedra that share  a cornercorner with one P(2)Se4 tetrahedra,  a cornercorner with one P(4)Se4 tetrahedra, corners with two equivalent Li(14)Se4 tetrahedra,  an edgeedge with one Li(4)Se6 octahedra,  an edgeedge with one Li(11)Se4 tetrahedra, and  an edgeedge with one Sn(1)Se4 tetrahedra. In the sixth Li site, Li(6) is bonded in a distorted see-saw-like geometry to one Se(13), one Se(19), one Se(2), and one Se(23) atom. In the seventh Li site, Li(7) is bonded to one Se(15), one Se(17), one Se(22), and one Se(7) atom to form distorted LiSe4 tetrahedra that share  a cornercorner with one Li(4)Se6 octahedra,  a cornercorner with one Li(13)Se4 tetrahedra,  a cornercorner with one Li(20)Se4 tetrahedra,  a cornercorner with one P(1)Se4 tetrahedra,  a cornercorner with one P(3)Se4 tetrahedra, corners with two equivalent Li(15)Se4 tetrahedra,  a cornercorner with one Li(10)Se5 trigonal bipyramid,  a cornercorner with one Li(18)Se4 trigonal pyramid,  an edgeedge with one Li(3)Se5 square pyramid, and  an edgeedge with one Sn(2)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one Se(10), one Se(13), one Se(2), one Se(20), and one Se(24) atom. In the ninth Li site, Li(9) is bonded to one Se(1), one Se(14), one Se(19), and one Se(23) atom to form LiSe4 tetrahedra that share  a cornercorner with one Li(4)Se6 octahedra,  a cornercorner with one Li(3)Se5 square pyramid,  a cornercorner with one Sn(1)Se4 tetrahedra,  a cornercorner with one P(1)Se4 tetrahedra, corners with two equivalent Li(11)Se4 tetrahedra,  an edgeedge with one Li(14)Se4 tetrahedra, and  an edgeedge with one P(4)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. In the tenth Li site, Li(10) is bonded to one Se(11), one Se(21), one Se(22), one Se(3), and one Se(4) atom to form LiSe5 trigonal bipyramids that share  a cornercorner with one Li(3)Se5 square pyramid,  a cornercorner with one Li(13)Se4 tetrahedra,  a cornercorner with one Li(15)Se4 tetrahedra,  a cornercorner with one Li(17)Se4 tetrahedra,  a cornercorner with one Li(7)Se4 tetrahedra,  a cornercorner with one P(3)Se4 tetrahedra, corners with two equivalent Sn(2)Se4 tetrahedra,  a cornercorner with one Li(18)Se4 trigonal pyramid,  an edgeedge with one Li(12)Se4 tetrahedra,  an edgeedge with one Li(20)Se4 tetrahedra, and  an edgeedge with one P(2)Se4 tetrahedra. In the eleventh Li site, Li(11) is bonded to one Se(1), one Se(14), one Se(20), and one Se(24) atom to form distorted LiSe4 tetrahedra that share  a cornercorner with one Li(4)Se6 octahedra,  a cornercorner with one Li(3)Se5 square pyramid,  a cornercorner with one Sn(1)Se4 tetrahedra,  a cornercorner with one P(1)Se4 tetrahedra, corners with two equivalent Li(9)Se4 tetrahedra,  an edgeedge with one Li(5)Se4 tetrahedra, and  an edgeedge with one P(4)Se4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the twelfth Li site, Li(12) is bonded to one Se(16), one Se(18), one Se(21), and one Se(4) atom to form distorted LiSe4 tetrahedra that share  a cornercorner with one Li(4)Se6 octahedra,  a cornercorner with one P(2)Se4 tetrahedra,  a cornercorner with one P(3)Se4 tetrahedra, corners with two equivalent Li(17)Se4 tetrahedra, corners with two equivalent Li(20)Se4 tetrahedra,  an edgeedge with one Sn(2)Se4 tetrahedra, and  an edgeedge with one Li(10)Se5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 73°. In the thirteenth Li site, Li(13) is bonded to one Se(10), one Se(15), one Se(3), and one Se(5) atom to form LiSe4 tetrahedra that share  a cornercorner with one Li(7)Se4 tetrahedra,  a cornercorner with one Sn(1)Se4 tetrahedra,  a cornercorner with one Sn(2)Se4 tetrahedra, corners with two equivalent Li(17)Se4 tetrahedra,  a cornercorner with one Li(10)Se5 trigonal bipyramid,  an edgeedge with one Li(4)Se6 octahedra, and  an edgeedge with one P(2)Se4 tetrahedra. In the fourteenth Li site, Li(14) is bonded to one Se(19), one Se(23), one Se(6), and one Se(9) atom to form distorted LiSe4 tetrahedra that share  a cornercorner with one P(2)Se4 tetrahedra,  a cornercorner with one P(4)Se4 tetrahedra, corners with two equivalent Li(5)Se4 tetrahedra,  an edgeedge with one Li(4)Se6 octahedra,  an edgeedge with one Li(9)Se4 tetrahedra, and  an edgeedge with one Sn(1)Se4 tetrahedra. In the fifteenth Li site, Li(15) is bonded to one Se(12), one Se(17), one Se(22), and one Se(8) atom to form distorted LiSe4 tetrahedra that share  a cornercorner with one Sn(2)Se4 tetrahedra,  a cornercorner with one P(1)Se4 tetrahedra, corners with two equivalent Li(7)Se4 tetrahedra,  a cornercorner with one Li(10)Se5 trigonal bipyramid,  an edgeedge with one Li(3)Se5 square pyramid, and  an edgeedge with one P(3)Se4 tetrahedra. In the sixteenth Li site, Li(16) is bonded in a 5-coordinate geometry to one Se(15), one Se(18), one Se(3), one Se(6), and one Se(9) atom. In the seventeenth Li site, Li(17) is bonded to one Se(10), one Se(16), one Se(4), and one Se(5) atom to form LiSe4 tetrahedra that share  a cornercorner with one Sn(1)Se4 tetrahedra,  a cornercorner with one Sn(2)Se4 tetrahedra, corners with two equivalent Li(12)Se4 tetrahedra, corners with two equivalent Li(13)Se4 tetrahedra,  a cornercorner with one Li(10)Se5 trigonal bipyramid,  an edgeedge with one Li(4)Se6 octahedra, and  an edgeedge with one P(2)Se4 tetrahedra. In the eighteenth Li site, Li(18) is bonded to one Se(11), one Se(13), one Se(2), and one Se(7) atom to form distorted LiSe4 trigonal pyramids that share  a cornercorner with one Li(7)Se4 tetrahedra,  a cornercorner with one P(3)Se4 tetrahedra,  a cornercorner with one P(4)Se4 tetrahedra, corners with two equivalent Li(20)Se4 tetrahedra,  a cornercorner with one Li(10)Se5 trigonal bipyramid,  an edgeedge with one Li(3)Se5 square pyramid, and  an edgeedge with one P(1)Se4 tetrahedra. In the nineteenth Li site, Li(19) is bonded in a 5-coordinate geometry to one Se(1), one Se(12), one Se(18), one Se(21), and one Se(8) atom. In the twentieth Li site, Li(20) is bonded to one Se(11), one Se(18), one Se(21), and one Se(7) atom to form distorted LiSe4 tetrahedra that share  a cornercorner with one Li(3)Se5 square pyramid,  a cornercorner with one Li(7)Se4 tetrahedra,  a cornercorner with one Sn(2)Se4 tetrahedra,  a cornercorner with one P(1)Se4 tetrahedra, corners with two equivalent Li(12)Se4 tetrahedra, corners with two equivalent Li(18)Se4 trigonal pyramids,  an edgeedge with one P(3)Se4 tetrahedra, and  an edgeedge with one Li(10)Se5 trigonal bipyramid. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Se(10), one Se(19), one Se(20), and one Se(9) atom to form distorted SnSe4 tetrahedra that share  a cornercorner with one Li(11)Se4 tetrahedra,  a cornercorner with one Li(13)Se4 tetrahedra,  a cornercorner with one Li(17)Se4 tetrahedra,  a cornercorner with one Li(9)Se4 tetrahedra,  an edgeedge with one Li(14)Se4 tetrahedra, and  an edgeedge with one Li(5)Se4 tetrahedra. In the second Sn site, Sn(2) is bonded to one Se(15), one Se(16), one Se(21), and one Se(22) atom to form distorted SnSe4 tetrahedra that share  a cornercorner with one Li(3)Se5 square pyramid,  a cornercorner with one Li(13)Se4 tetrahedra,  a cornercorner with one Li(15)Se4 tetrahedra,  a cornercorner with one Li(17)Se4 tetrahedra,  a cornercorner with one Li(20)Se4 tetrahedra, corners with two equivalent Li(10)Se5 trigonal bipyramids,  an edgeedge with one Li(4)Se6 octahedra,  an edgeedge with one Li(12)Se4 tetrahedra, and  an edgeedge with one Li(7)Se4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Se(1), one Se(2), one Se(7), and one Se(8) atom to form PSe4 tetrahedra that share corners with two equivalent Li(3)Se5 square pyramids,  a cornercorner with one Li(11)Se4 tetrahedra,  a cornercorner with one Li(15)Se4 tetrahedra,  a cornercorner with one Li(20)Se4 tetrahedra,  a cornercorner with one Li(7)Se4 tetrahedra,  a cornercorner with one Li(9)Se4 tetrahedra, and  an edgeedge with one Li(18)Se4 trigonal pyramid. In the second P site, P(2) is bonded to one Se(3), one Se(4), one Se(5), and one Se(6) atom to form PSe4 tetrahedra that share corners with two equivalent Li(4)Se6 octahedra,  a cornercorner with one Li(12)Se4 tetrahedra,  a cornercorner with one Li(14)Se4 tetrahedra,  a cornercorner with one Li(5)Se4 tetrahedra,  an edgeedge with one Li(13)Se4 tetrahedra,  an edgeedge with one Li(17)Se4 tetrahedra, and  an edgeedge with one Li(10)Se5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 27-55°. In the third P site, P(3) is bonded to one Se(11), one Se(12), one Se(17), and one Se(18) atom to form PSe4 tetrahedra that share  a cornercorner with one Li(12)Se4 tetrahedra,  a cornercorner with one Li(7)Se4 tetrahedra,  a cornercorner with one Li(10)Se5 trigonal bipyramid,  a cornercorner with one Li(18)Se4 trigonal pyramid,  an edgeedge with one Li(15)Se4 tetrahedra, and  an edgeedge with one Li(20)Se4 tetrahedra. In the fourth P site, P(4) is bonded to one Se(13), one Se(14), one Se(23), and one Se(24) atom to form PSe4 tetrahedra that share  a cornercorner with one Li(14)Se4 tetrahedra,  a cornercorner with one Li(5)Se4 tetrahedra,  a cornercorner with one Li(18)Se4 trigonal pyramid,  an edgeedge with one Li(4)Se6 octahedra,  an edgeedge with one Li(3)Se5 square pyramid,  an edgeedge with one Li(11)Se4 tetrahedra, and  an edgeedge with one Li(9)Se4 tetrahedra. There are twenty-four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Li(11), one Li(19), one Li(9), and one P(1) atom. In the second Se site, Se(2) is bonded to one Li(18), one Li(2), one Li(6), one Li(8), and one P(1) atom to form distorted SeLi4P square pyramids that share  a cornercorner with one Se(24)Li4P square pyramid,  a cornercorner with one Se(13)Li4P trigonal bipyramid,  a cornercorner with one Se(23)Li4P trigonal bipyramid,  a cornercorner with one Se(12)Li3P trigonal pyramid,  an edgeedge with one Se(19)Li4Sn square pyramid,  an edgeedge with one Se(20)Li4Sn square pyramid,  an edgeedge with one Se(13)Li4P trigonal bipyramid, and  an edgeedge with one Se(7)Li4P trigonal bipyramid. In the third Se site, Se(3) is bonded to one Li(1), one Li(10), one Li(13), one Li(16), and one P(2) atom to form distorted SeLi4P trigonal bipyramids that share  a cornercorner with one Se(18)Li4P trigonal bipyramid,  a cornercorner with one Se(22)Li4Sn trigonal bipyramid, and  a cornercorner with one Se(17)Li3P trigonal pyramid. In the fourth Se site, Se(4) is bonded in a distorted pentagonal planar geometry to one Li(1), one Li(10), one Li(12), one Li(17), and one P(2) atom. In the fifth Se site, Se(5) is bonded in a 4-coordinate geometry to one Li(13), one Li(17), one Li(4), and one P(2) atom. In the sixth Se site, Se(6) is bonded in a 5-coordinate geometry to one Li(14), one Li(16), one Li(4), one Li(5), and one P(2) atom. In the seventh Se site, Se(7) is bonded to one Li(18), one Li(20), one Li(3), one Li(7), and one P(1) atom to form distorted SeLi4P trigonal bipyramids that share  a cornercorner with one Se(18)Li4P trigonal bipyramid,  a cornercorner with one Se(14)Li3P trigonal pyramid,  a cornercorner with one Se(17)Li3P trigonal pyramid,  an edgeedge with one Se(2)Li4P square pyramid,  an edgeedge with one Se(13)Li4P trigonal bipyramid, and  an edgeedge with one Se(22)Li4Sn trigonal bipyramid. In the eighth Se site, Se(8) is bonded in a distorted see-saw-like geometry to one Li(15), one Li(19), one Li(3), and one P(1) atom. In the ninth Se site, Se(9) is bonded in a 5-coordinate geometry to one Li(1), one Li(14), one Li(16), one Li(5), and one Sn(1) atom. In the tenth Se site, Se(10) is bonded in a 5-coordinate geometry to one Li(1), one Li(13), one Li(17), one Li(8), and one Sn(1) atom. In the eleventh Se site, Se(11) is bonded in a 4-coordinate geometry to one Li(10), one Li(18), one Li(20), and one P(3) atom. In the twelfth Se site, Se(12) is bonded to one Li(15), one Li(19), one Li(2), and one P(3) atom to form SeLi3P trigonal pyramids that share  a cornercorner with one Se(2)Li4P square pyramid,  a cornercorner with one Se(19)Li4Sn square pyramid,  a cornercorner with one Se(20)Li4Sn square pyramid,  a cornercorner with one Se(22)Li4Sn trigonal bipyramid,  an edgeedge with one Se(18)Li4P trigonal bipyramid, and  an edgeedge with one Se(17)Li3P trigonal pyramid. In the thirteenth Se site, Se(13) is bonded to one Li(18), one Li(3), one Li(6), one Li(8), and one P(4) atom to form distorted SeLi4P trigonal bipyramids that share  a cornercorner with one Se(2)Li4P square pyramid,  a cornercorner with one Se(19)Li4Sn square pyramid,  a cornercorner with one Se(20)Li4Sn square pyramid,  a cornercorner with one Se(22)Li4Sn trigonal bipyramid,  an edgeedge with one Se(2)Li4P square pyramid,  an edgeedge with one Se(24)Li4P square pyramid,  an edgeedge with one Se(23)Li4P trigonal bipyramid,  an edgeedge with one Se(7)Li4P trigonal bipyramid, and  an edgeedge with one Se(14)Li3P trigonal pyramid. In the fourteenth Se site, Se(14) is bonded to one Li(11), one Li(3), one Li(9), and one P(4) atom to form SeLi3P trigonal pyramids that share  a cornercorner with one Se(19)Li4Sn square pyramid,  a cornercorner with one Se(20)Li4Sn square pyramid,  a cornercorner with one Se(7)Li4P trigonal bipyramid,  a cornercorner with one Se(22)Li4Sn trigonal bipyramid,  an edgeedge with one Se(24)Li4P square pyramid,  an edgeedge with one Se(13)Li4P trigonal bipyramid, and  an edgeedge with one Se(23)Li4P trigonal bipyramid. In the fifteenth Se site, Se(15) is bonded in a 5-coordinate geometry to one Li(13), one Li(16), one Li(4), one Li(7), and one Sn(2) atom. In the sixteenth Se site, Se(16) is bonded in a distorted see-saw-like geometry to one Li(12), one Li(17), one Li(4), and one Sn(2) atom. In the seventeenth Se site, Se(17) is bonded to one Li(1), one Li(15), one Li(7), and one P(3) atom to form SeLi3P trigonal pyramids that share  a cornercorner with one Se(18)Li4P trigonal bipyramid,  a cornercorner with one Se(3)Li4P trigonal bipyramid,  a cornercorner with one Se(7)Li4P trigonal bipyramid, corners with two equivalent Se(22)Li4Sn trigonal bipyramids, and  an edgeedge with one Se(12)Li3P trigonal pyramid. In the eighteenth Se site, Se(18) is bonded to one Li(12), one Li(16), one Li(19), one Li(20), and one P(3) atom to form distorted SeLi4P trigonal bipyramids that share  a cornercorner with one Se(3)Li4P trigonal bipyramid,  a cornercorner with one Se(7)Li4P trigonal bipyramid,  a cornercorner with one Se(17)Li3P trigonal pyramid, and  an edgeedge with one Se(12)Li3P trigonal pyramid. In the nineteenth Se site, Se(19) is bonded to one Li(14), one Li(2), one Li(6), one Li(9), and one Sn(1) atom to form distorted SeLi4Sn square pyramids that share  a cornercorner with one Se(13)Li4P trigonal bipyramid,  a cornercorner with one Se(23)Li4P trigonal bipyramid,  a cornercorner with one Se(12)Li3P trigonal pyramid,  a cornercorner with one Se(14)Li3P trigonal pyramid,  an edgeedge with one Se(2)Li4P square pyramid,  an edgeedge with one Se(20)Li4Sn square pyramid, and  an edgeedge with one Se(23)Li4P trigonal bipyramid. In the twentieth Se site, Se(20) is bonded to one Li(11), one Li(2), one Li(5), one Li(8), and one Sn(1) atom to form distorted SeLi4Sn square pyramids that share  a cornercorner with one Se(24)Li4P square pyramid,  a cornercorner with one Se(13)Li4P trigonal bipyramid,  a cornercorner with one Se(12)Li3P trigonal pyramid,  a cornercorner with one Se(14)Li3P trigonal pyramid,  an edgeedge with one Se(2)Li4P square pyramid,  an edgeedge with one Se(24)Li4P square pyramid, and  an edgeedge with one Se(19)Li4Sn square pyramid. In the twenty-first Se site, Se(21) is bonded in a 5-coordinate geometry to one Li(10), one Li(12), one Li(19), one Li(20), and one Sn(2) atom. In the twenty-second Se site, Se(22) is bonded to one Li(10), one Li(15), one Li(3), one Li(7), and one Sn(2) atom to form distorted SeLi4Sn trigonal bipyramids that share  a cornercorner with one Se(13)Li4P trigonal bipyramid,  a cornercorner with one Se(3)Li4P trigonal bipyramid,  a cornercorner with one Se(12)Li3P trigonal pyramid,  a cornercorner with one Se(14)Li3P trigonal pyramid, corners with two equivalent Se(17)Li3P trigonal pyramids, and  an edgeedge with one Se(7)Li4P trigonal bipyramid. In the twenty-third Se site, Se(23) is bonded to one Li(14), one Li(4), one Li(6), one Li(9), and one P(4) atom to form distorted SeLi4P trigonal bipyramids that share  a cornercorner with one Se(2)Li4P square pyramid,  a cornercorner with one Se(19)Li4Sn square pyramid,  an edgeedge with one Se(24)Li4P square pyramid,  an edgeedge with one Se(19)Li4Sn square pyramid,  an edgeedge with one Se(13)Li4P trigonal bipyramid, and  an edgeedge with one Se(14)Li3P trigonal pyramid. In the twenty-fourth Se site, Se(24) is bonded to one Li(11), one Li(4), one Li(5), one Li(8), and one P(4) atom to form distorted SeLi4P square pyramids that share  a cornercorner with one Se(2)Li4P square pyramid,  a cornercorner with one Se(20)Li4Sn square pyramid,  an edgeedge with one Se(20)Li4Sn square pyramid,  an edgeedge with one Se(13)Li4P trigonal bipyramid,  an edgeedge with one Se(23)Li4P trigonal bipyramid, and  an edgeedge with one Se(14)Li3P trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li10Sn(PSe6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.083
_cell_length_b   9.434
_cell_length_c   13.796
_cell_angle_alpha   92.060
_cell_angle_beta   90.715
_cell_angle_gamma   90.176
_symmetry_Int_Tables_number   1
_cell_volume   1181.372
_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
  Li  Li0  1  0.989  0.516  0.952  1.0
  Li  Li1  1  0.965  0.517  0.428  1.0
  Li  Li2  1  0.510  0.965  0.545  1.0
  Li  Li3  1  0.497  0.994  0.052  1.0
  Li  Li4  1  0.259  0.289  0.159  1.0
  Li  Li5  1  0.743  0.748  0.283  1.0
  Li  Li6  1  0.215  0.816  0.755  1.0
  Li  Li7  1  0.233  0.758  0.253  1.0
  Li  Li8  1  0.752  0.217  0.351  1.0
  Li  Li9  1  0.462  0.513  0.751  1.0
  Li  Li10  1  0.231  0.225  0.366  1.0
  Li  Li11  1  0.736  0.259  0.857  1.0
  Li  Li12  1  0.248  0.760  0.006  1.0
  Li  Li13  1  0.740  0.262  0.132  1.0
  Li  Li14  1  0.765  0.725  0.688  1.0
  Li  Li15  1  0.222  0.262  0.920  1.0
  Li  Li16  1  0.746  0.760  0.009  1.0
  Li  Li17  1  0.242  0.721  0.484  1.0
  Li  Li18  1  0.785  0.216  0.625  1.0
  Li  Li19  1  0.240  0.213  0.649  1.0
  Sn  Sn20  1  0.996  0.490  0.183  1.0
  Sn  Sn21  1  0.511  0.991  0.816  1.0
  P  P22  1  0.992  0.966  0.502  1.0
  P  P23  1  0.492  0.515  0.993  1.0
  P  P24  1  0.009  0.482  0.684  1.0
  P  P25  1  0.488  0.010  0.311  1.0
  Se  Se26  1  0.988  0.182  0.444  1.0
  Se  Se27  1  0.006  0.790  0.387  1.0
  Se  Se28  1  0.290  0.534  0.899  1.0
  Se  Se29  1  0.689  0.534  0.897  1.0
  Se  Se30  1  0.496  0.698  0.100  1.0
  Se  Se31  1  0.486  0.306  0.060  1.0
  Se  Se32  1  0.201  0.945  0.590  1.0
  Se  Se33  1  0.796  0.946  0.593  1.0
  Se  Se34  1  0.006  0.281  0.058  1.0
  Se  Se35  1  0.001  0.726  0.098  1.0
  Se  Se36  1  0.217  0.485  0.599  1.0
  Se  Se37  1  0.811  0.492  0.587  1.0
  Se  Se38  1  0.486  0.797  0.375  1.0
  Se  Se39  1  0.496  0.182  0.426  1.0
  Se  Se40  1  0.268  0.989  0.911  1.0
  Se  Se41  1  0.732  0.003  0.930  1.0
  Se  Se42  1  0.991  0.665  0.791  1.0
  Se  Se43  1  0.004  0.276  0.760  1.0
  Se  Se44  1  0.762  0.466  0.280  1.0
  Se  Se45  1  0.217  0.479  0.299  1.0
  Se  Se46  1  0.519  0.216  0.715  1.0
  Se  Se47  1  0.489  0.782  0.692  1.0
  Se  Se48  1  0.690  0.014  0.219  1.0
  Se  Se49  1  0.288  0.031  0.217  1.0
[/CIF]
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