The material described by Li7(Mo3Se4)4 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one Se(13), one Se(16), one Se(2), and one Se(8) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one Se(10), one Se(3), one Se(6), and one Se(7) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one Se(12), one Se(13), one Se(8), and one Se(9) atom. In the fourth Li site, Li(4) is bonded to one Se(11), one Se(14), one Se(15), and one Se(6) atom to form LiSe4 trigonal pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(12)Se5 square pyramid,  a cornercorner with one Mo(2)Se5 square pyramid,  a cornercorner with one Mo(3)Se5 square pyramid,  a cornercorner with one Mo(7)Se5 square pyramid,  a cornercorner with one Mo(8)Se5 square pyramid, corners with two equivalent Mo(10)Se5 square pyramids, corners with two equivalent Mo(11)Se5 square pyramids, corners with two equivalent Mo(6)Se5 square pyramids, and  an edgeedge with one Mo(7)Se5 square pyramid. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one Se(1), one Se(12), one Se(13), one Se(16), and one Se(5) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one Se(1), one Se(15), one Se(4), and one Se(9) atom. In the seventh Li site, Li(7) is bonded in a distorted see-saw-like geometry to one Se(11), one Se(14), one Se(2), and one Se(3) atom. There are twelve inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one Se(1), one Se(15), one Se(3), one Se(4), and one Se(7) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(3)Se5 square pyramid,  a cornercorner with one Mo(6)Se5 square pyramid,  a cornercorner with one Mo(7)Se5 square pyramid,  a cornercorner with one Mo(8)Se5 square pyramid,  a cornercorner with one Li(4)Se4 trigonal pyramid,  an edgeedge with one Mo(11)Se5 square pyramid,  an edgeedge with one Mo(3)Se5 square pyramid,  an edgeedge with one Mo(4)Se5 square pyramid,  an edgeedge with one Mo(7)Se5 square pyramid, and  an edgeedge with one Mo(8)Se5 square pyramid. In the second Mo site, Mo(2) is bonded to one Se(16), one Se(2), one Se(5), one Se(6), and one Se(8) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(10)Se5 square pyramid,  a cornercorner with one Mo(4)Se5 square pyramid,  a cornercorner with one Mo(5)Se5 square pyramid,  a cornercorner with one Mo(9)Se5 square pyramid,  a cornercorner with one Li(4)Se4 trigonal pyramid,  an edgeedge with one Mo(10)Se5 square pyramid,  an edgeedge with one Mo(12)Se5 square pyramid,  an edgeedge with one Mo(5)Se5 square pyramid,  an edgeedge with one Mo(6)Se5 square pyramid, and  an edgeedge with one Mo(9)Se5 square pyramid. In the third Mo site, Mo(3) is bonded to one Se(1), one Se(11), one Se(3), one Se(7), and one Se(9) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(11)Se5 square pyramid,  a cornercorner with one Mo(6)Se5 square pyramid,  a cornercorner with one Mo(7)Se5 square pyramid,  a cornercorner with one Li(4)Se4 trigonal pyramid,  an edgeedge with one Mo(1)Se5 square pyramid,  an edgeedge with one Mo(11)Se5 square pyramid,  an edgeedge with one Mo(4)Se5 square pyramid,  an edgeedge with one Mo(7)Se5 square pyramid, and  an edgeedge with one Mo(8)Se5 square pyramid. In the fourth Mo site, Mo(4) is bonded to one Se(1), one Se(12), one Se(4), one Se(5), and one Se(9) atom to form a mixture of distorted corner and edge-sharing MoSe5 square pyramids. In the fifth Mo site, Mo(5) is bonded to one Se(10), one Se(13), one Se(2), one Se(5), and one Se(8) atom to form a mixture of distorted corner and edge-sharing MoSe5 square pyramids. In the sixth Mo site, Mo(6) is bonded to one Se(10), one Se(14), one Se(2), one Se(3), and one Se(6) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(10)Se5 square pyramid,  a cornercorner with one Mo(12)Se5 square pyramid,  a cornercorner with one Mo(3)Se5 square pyramid, corners with two equivalent Li(4)Se4 trigonal pyramids,  an edgeedge with one Mo(10)Se5 square pyramid,  an edgeedge with one Mo(12)Se5 square pyramid,  an edgeedge with one Mo(2)Se5 square pyramid,  an edgeedge with one Mo(5)Se5 square pyramid, and  an edgeedge with one Mo(7)Se5 square pyramid. In the seventh Mo site, Mo(7) is bonded to one Se(11), one Se(14), one Se(15), one Se(3), and one Se(7) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(10)Se5 square pyramid,  a cornercorner with one Mo(12)Se5 square pyramid,  a cornercorner with one Mo(3)Se5 square pyramid,  a cornercorner with one Li(4)Se4 trigonal pyramid,  an edgeedge with one Mo(1)Se5 square pyramid,  an edgeedge with one Mo(11)Se5 square pyramid,  an edgeedge with one Mo(3)Se5 square pyramid,  an edgeedge with one Mo(6)Se5 square pyramid,  an edgeedge with one Mo(8)Se5 square pyramid, and  an edgeedge with one Li(4)Se4 trigonal pyramid. In the eighth Mo site, Mo(8) is bonded to one Se(12), one Se(15), one Se(4), one Se(7), and one Se(9) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(11)Se5 square pyramid,  a cornercorner with one Mo(4)Se5 square pyramid,  a cornercorner with one Mo(9)Se5 square pyramid,  a cornercorner with one Li(4)Se4 trigonal pyramid,  an edgeedge with one Mo(1)Se5 square pyramid,  an edgeedge with one Mo(11)Se5 square pyramid,  an edgeedge with one Mo(3)Se5 square pyramid,  an edgeedge with one Mo(4)Se5 square pyramid, and  an edgeedge with one Mo(7)Se5 square pyramid. In the ninth Mo site, Mo(9) is bonded to one Se(12), one Se(13), one Se(16), one Se(5), and one Se(8) atom to form a mixture of distorted corner and edge-sharing MoSe5 square pyramids. In the tenth Mo site, Mo(10) is bonded to one Se(10), one Se(14), one Se(16), one Se(6), and one Se(8) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(12)Se5 square pyramid,  a cornercorner with one Mo(2)Se5 square pyramid,  a cornercorner with one Mo(6)Se5 square pyramid,  a cornercorner with one Mo(7)Se5 square pyramid, corners with two equivalent Li(4)Se4 trigonal pyramids,  an edgeedge with one Mo(12)Se5 square pyramid,  an edgeedge with one Mo(2)Se5 square pyramid,  an edgeedge with one Mo(5)Se5 square pyramid,  an edgeedge with one Mo(6)Se5 square pyramid, and  an edgeedge with one Mo(9)Se5 square pyramid. In the eleventh Mo site, Mo(11) is bonded to one Se(1), one Se(11), one Se(12), one Se(15), and one Se(9) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(3)Se5 square pyramid,  a cornercorner with one Mo(4)Se5 square pyramid,  a cornercorner with one Mo(8)Se5 square pyramid,  a cornercorner with one Mo(9)Se5 square pyramid, corners with two equivalent Li(4)Se4 trigonal pyramids,  an edgeedge with one Mo(1)Se5 square pyramid,  an edgeedge with one Mo(3)Se5 square pyramid,  an edgeedge with one Mo(4)Se5 square pyramid,  an edgeedge with one Mo(7)Se5 square pyramid, and  an edgeedge with one Mo(8)Se5 square pyramid. In the twelfth Mo site, Mo(12) is bonded to one Se(10), one Se(13), one Se(14), one Se(16), and one Se(2) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(10)Se5 square pyramid,  a cornercorner with one Mo(5)Se5 square pyramid,  a cornercorner with one Mo(6)Se5 square pyramid,  a cornercorner with one Mo(7)Se5 square pyramid,  a cornercorner with one Li(4)Se4 trigonal pyramid,  an edgeedge with one Mo(10)Se5 square pyramid,  an edgeedge with one Mo(2)Se5 square pyramid,  an edgeedge with one Mo(5)Se5 square pyramid,  an edgeedge with one Mo(6)Se5 square pyramid, and  an edgeedge with one Mo(9)Se5 square pyramid. There are sixteen inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one Li(5), one Li(6), one Mo(1), one Mo(11), one Mo(3), and one Mo(4) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(7), one Mo(12), one Mo(2), one Mo(5), and one Mo(6) atom. In the third Se site, Se(3) is bonded in a 6-coordinate geometry to one Li(2), one Li(7), one Mo(1), one Mo(3), one Mo(6), and one Mo(7) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Li(6), one Mo(1), one Mo(4), and one Mo(8) atom. In the fifth Se site, Se(5) is bonded in a 1-coordinate geometry to one Li(5), one Mo(2), one Mo(4), one Mo(5), and one Mo(9) atom. In the sixth Se site, Se(6) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Mo(10), one Mo(2), and one Mo(6) atom. In the seventh Se site, Se(7) is bonded in a 5-coordinate geometry to one Li(2), one Mo(1), one Mo(3), one Mo(7), and one Mo(8) atom. In the eighth Se site, Se(8) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Mo(10), one Mo(2), one Mo(5), and one Mo(9) atom. In the ninth Se site, Se(9) is bonded in a 6-coordinate geometry to one Li(3), one Li(6), one Mo(11), one Mo(3), one Mo(4), and one Mo(8) atom. In the tenth Se site, Se(10) is bonded in a 5-coordinate geometry to one Li(2), one Mo(10), one Mo(12), one Mo(5), and one Mo(6) atom. In the eleventh Se site, Se(11) is bonded in a 5-coordinate geometry to one Li(4), one Li(7), one Mo(11), one Mo(3), and one Mo(7) atom. In the twelfth Se site, Se(12) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), one Mo(11), one Mo(4), one Mo(8), and one Mo(9) atom. In the thirteenth Se site, Se(13) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(5), one Mo(12), one Mo(5), and one Mo(9) atom. In the fourteenth Se site, Se(14) is bonded in a 6-coordinate geometry to one Li(4), one Li(7), one Mo(10), one Mo(12), one Mo(6), and one Mo(7) atom. In the fifteenth Se site, Se(15) is bonded in a 6-coordinate geometry to one Li(4), one Li(6), one Mo(1), one Mo(11), one Mo(7), and one Mo(8) atom. In the sixteenth Se site, Se(16) is bonded in a 6-coordinate geometry to one Li(1), one Li(5), one Mo(10), one Mo(12), one Mo(2), and one Mo(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7(Mo3Se4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.990
_cell_length_b   6.992
_cell_length_c   13.963
_cell_angle_alpha   94.917
_cell_angle_beta   94.893
_cell_angle_gamma   94.823
_symmetry_Int_Tables_number   1
_cell_volume   674.518
_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  0.016  0.980  0.706  1.0
  Li  Li1  1  0.026  0.596  0.987  1.0
  Li  Li2  1  0.983  0.426  0.509  1.0
  Li  Li3  1  0.874  0.091  0.021  1.0
  Li  Li4  1  0.431  0.013  0.490  1.0
  Li  Li5  1  0.976  0.020  0.298  1.0
  Li  Li6  1  0.396  0.025  0.986  1.0
  Mo  Mo7  1  0.585  0.752  0.228  1.0
  Mo  Mo8  1  0.583  0.755  0.728  1.0
  Mo  Mo9  1  0.245  0.546  0.206  1.0
  Mo  Mo10  1  0.457  0.585  0.376  1.0
  Mo  Mo11  1  0.247  0.541  0.708  1.0
  Mo  Mo12  1  0.456  0.585  0.877  1.0
  Mo  Mo13  1  0.543  0.417  0.122  1.0
  Mo  Mo14  1  0.755  0.458  0.291  1.0
  Mo  Mo15  1  0.543  0.415  0.623  1.0
  Mo  Mo16  1  0.751  0.457  0.792  1.0
  Mo  Mo17  1  0.415  0.249  0.269  1.0
  Mo  Mo18  1  0.414  0.245  0.772  1.0
  Se  Se19  1  0.291  0.875  0.312  1.0
  Se  Se20  1  0.289  0.875  0.812  1.0
  Se  Se21  1  0.376  0.711  0.062  1.0
  Se  Se22  1  0.788  0.782  0.396  1.0
  Se  Se23  1  0.372  0.705  0.563  1.0
  Se  Se24  1  0.785  0.793  0.893  1.0
  Se  Se25  1  0.873  0.626  0.145  1.0
  Se  Se26  1  0.875  0.628  0.646  1.0
  Se  Se27  1  0.125  0.378  0.352  1.0
  Se  Se28  1  0.124  0.369  0.854  1.0
  Se  Se29  1  0.209  0.215  0.105  1.0
  Se  Se30  1  0.628  0.293  0.437  1.0
  Se  Se31  1  0.210  0.208  0.604  1.0
  Se  Se32  1  0.626  0.291  0.937  1.0
  Se  Se33  1  0.711  0.124  0.185  1.0
  Se  Se34  1  0.704  0.126  0.686  1.0
[/CIF]
.
The material described by Li7(Mo3Se4)4 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one Se(13), one Se(16), one Se(2), and one Se(8) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one Se(10), one Se(3), one Se(6), and one Se(7) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one Se(12), one Se(13), one Se(8), and one Se(9) atom. In the fourth Li site, Li(4) is bonded to one Se(11), one Se(14), one Se(15), and one Se(6) atom to form LiSe4 trigonal pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(12)Se5 square pyramid,  a cornercorner with one Mo(2)Se5 square pyramid,  a cornercorner with one Mo(3)Se5 square pyramid,  a cornercorner with one Mo(7)Se5 square pyramid,  a cornercorner with one Mo(8)Se5 square pyramid, corners with two equivalent Mo(10)Se5 square pyramids, corners with two equivalent Mo(11)Se5 square pyramids, corners with two equivalent Mo(6)Se5 square pyramids, and  an edgeedge with one Mo(7)Se5 square pyramid. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one Se(1), one Se(12), one Se(13), one Se(16), and one Se(5) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one Se(1), one Se(15), one Se(4), and one Se(9) atom. In the seventh Li site, Li(7) is bonded in a distorted see-saw-like geometry to one Se(11), one Se(14), one Se(2), and one Se(3) atom. There are twelve inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one Se(1), one Se(15), one Se(3), one Se(4), and one Se(7) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(3)Se5 square pyramid,  a cornercorner with one Mo(6)Se5 square pyramid,  a cornercorner with one Mo(7)Se5 square pyramid,  a cornercorner with one Mo(8)Se5 square pyramid,  a cornercorner with one Li(4)Se4 trigonal pyramid,  an edgeedge with one Mo(11)Se5 square pyramid,  an edgeedge with one Mo(3)Se5 square pyramid,  an edgeedge with one Mo(4)Se5 square pyramid,  an edgeedge with one Mo(7)Se5 square pyramid, and  an edgeedge with one Mo(8)Se5 square pyramid. In the second Mo site, Mo(2) is bonded to one Se(16), one Se(2), one Se(5), one Se(6), and one Se(8) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(10)Se5 square pyramid,  a cornercorner with one Mo(4)Se5 square pyramid,  a cornercorner with one Mo(5)Se5 square pyramid,  a cornercorner with one Mo(9)Se5 square pyramid,  a cornercorner with one Li(4)Se4 trigonal pyramid,  an edgeedge with one Mo(10)Se5 square pyramid,  an edgeedge with one Mo(12)Se5 square pyramid,  an edgeedge with one Mo(5)Se5 square pyramid,  an edgeedge with one Mo(6)Se5 square pyramid, and  an edgeedge with one Mo(9)Se5 square pyramid. In the third Mo site, Mo(3) is bonded to one Se(1), one Se(11), one Se(3), one Se(7), and one Se(9) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(11)Se5 square pyramid,  a cornercorner with one Mo(6)Se5 square pyramid,  a cornercorner with one Mo(7)Se5 square pyramid,  a cornercorner with one Li(4)Se4 trigonal pyramid,  an edgeedge with one Mo(1)Se5 square pyramid,  an edgeedge with one Mo(11)Se5 square pyramid,  an edgeedge with one Mo(4)Se5 square pyramid,  an edgeedge with one Mo(7)Se5 square pyramid, and  an edgeedge with one Mo(8)Se5 square pyramid. In the fourth Mo site, Mo(4) is bonded to one Se(1), one Se(12), one Se(4), one Se(5), and one Se(9) atom to form a mixture of distorted corner and edge-sharing MoSe5 square pyramids. In the fifth Mo site, Mo(5) is bonded to one Se(10), one Se(13), one Se(2), one Se(5), and one Se(8) atom to form a mixture of distorted corner and edge-sharing MoSe5 square pyramids. In the sixth Mo site, Mo(6) is bonded to one Se(10), one Se(14), one Se(2), one Se(3), and one Se(6) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(10)Se5 square pyramid,  a cornercorner with one Mo(12)Se5 square pyramid,  a cornercorner with one Mo(3)Se5 square pyramid, corners with two equivalent Li(4)Se4 trigonal pyramids,  an edgeedge with one Mo(10)Se5 square pyramid,  an edgeedge with one Mo(12)Se5 square pyramid,  an edgeedge with one Mo(2)Se5 square pyramid,  an edgeedge with one Mo(5)Se5 square pyramid, and  an edgeedge with one Mo(7)Se5 square pyramid. In the seventh Mo site, Mo(7) is bonded to one Se(11), one Se(14), one Se(15), one Se(3), and one Se(7) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(10)Se5 square pyramid,  a cornercorner with one Mo(12)Se5 square pyramid,  a cornercorner with one Mo(3)Se5 square pyramid,  a cornercorner with one Li(4)Se4 trigonal pyramid,  an edgeedge with one Mo(1)Se5 square pyramid,  an edgeedge with one Mo(11)Se5 square pyramid,  an edgeedge with one Mo(3)Se5 square pyramid,  an edgeedge with one Mo(6)Se5 square pyramid,  an edgeedge with one Mo(8)Se5 square pyramid, and  an edgeedge with one Li(4)Se4 trigonal pyramid. In the eighth Mo site, Mo(8) is bonded to one Se(12), one Se(15), one Se(4), one Se(7), and one Se(9) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(11)Se5 square pyramid,  a cornercorner with one Mo(4)Se5 square pyramid,  a cornercorner with one Mo(9)Se5 square pyramid,  a cornercorner with one Li(4)Se4 trigonal pyramid,  an edgeedge with one Mo(1)Se5 square pyramid,  an edgeedge with one Mo(11)Se5 square pyramid,  an edgeedge with one Mo(3)Se5 square pyramid,  an edgeedge with one Mo(4)Se5 square pyramid, and  an edgeedge with one Mo(7)Se5 square pyramid. In the ninth Mo site, Mo(9) is bonded to one Se(12), one Se(13), one Se(16), one Se(5), and one Se(8) atom to form a mixture of distorted corner and edge-sharing MoSe5 square pyramids. In the tenth Mo site, Mo(10) is bonded to one Se(10), one Se(14), one Se(16), one Se(6), and one Se(8) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(12)Se5 square pyramid,  a cornercorner with one Mo(2)Se5 square pyramid,  a cornercorner with one Mo(6)Se5 square pyramid,  a cornercorner with one Mo(7)Se5 square pyramid, corners with two equivalent Li(4)Se4 trigonal pyramids,  an edgeedge with one Mo(12)Se5 square pyramid,  an edgeedge with one Mo(2)Se5 square pyramid,  an edgeedge with one Mo(5)Se5 square pyramid,  an edgeedge with one Mo(6)Se5 square pyramid, and  an edgeedge with one Mo(9)Se5 square pyramid. In the eleventh Mo site, Mo(11) is bonded to one Se(1), one Se(11), one Se(12), one Se(15), and one Se(9) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(3)Se5 square pyramid,  a cornercorner with one Mo(4)Se5 square pyramid,  a cornercorner with one Mo(8)Se5 square pyramid,  a cornercorner with one Mo(9)Se5 square pyramid, corners with two equivalent Li(4)Se4 trigonal pyramids,  an edgeedge with one Mo(1)Se5 square pyramid,  an edgeedge with one Mo(3)Se5 square pyramid,  an edgeedge with one Mo(4)Se5 square pyramid,  an edgeedge with one Mo(7)Se5 square pyramid, and  an edgeedge with one Mo(8)Se5 square pyramid. In the twelfth Mo site, Mo(12) is bonded to one Se(10), one Se(13), one Se(14), one Se(16), and one Se(2) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(10)Se5 square pyramid,  a cornercorner with one Mo(5)Se5 square pyramid,  a cornercorner with one Mo(6)Se5 square pyramid,  a cornercorner with one Mo(7)Se5 square pyramid,  a cornercorner with one Li(4)Se4 trigonal pyramid,  an edgeedge with one Mo(10)Se5 square pyramid,  an edgeedge with one Mo(2)Se5 square pyramid,  an edgeedge with one Mo(5)Se5 square pyramid,  an edgeedge with one Mo(6)Se5 square pyramid, and  an edgeedge with one Mo(9)Se5 square pyramid. There are sixteen inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one Li(5), one Li(6), one Mo(1), one Mo(11), one Mo(3), and one Mo(4) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(7), one Mo(12), one Mo(2), one Mo(5), and one Mo(6) atom. In the third Se site, Se(3) is bonded in a 6-coordinate geometry to one Li(2), one Li(7), one Mo(1), one Mo(3), one Mo(6), and one Mo(7) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Li(6), one Mo(1), one Mo(4), and one Mo(8) atom. In the fifth Se site, Se(5) is bonded in a 1-coordinate geometry to one Li(5), one Mo(2), one Mo(4), one Mo(5), and one Mo(9) atom. In the sixth Se site, Se(6) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Mo(10), one Mo(2), and one Mo(6) atom. In the seventh Se site, Se(7) is bonded in a 5-coordinate geometry to one Li(2), one Mo(1), one Mo(3), one Mo(7), and one Mo(8) atom. In the eighth Se site, Se(8) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Mo(10), one Mo(2), one Mo(5), and one Mo(9) atom. In the ninth Se site, Se(9) is bonded in a 6-coordinate geometry to one Li(3), one Li(6), one Mo(11), one Mo(3), one Mo(4), and one Mo(8) atom. In the tenth Se site, Se(10) is bonded in a 5-coordinate geometry to one Li(2), one Mo(10), one Mo(12), one Mo(5), and one Mo(6) atom. In the eleventh Se site, Se(11) is bonded in a 5-coordinate geometry to one Li(4), one Li(7), one Mo(11), one Mo(3), and one Mo(7) atom. In the twelfth Se site, Se(12) is bonded in a 6-coordinate geometry to one Li(3), one Li(5), one Mo(11), one Mo(4), one Mo(8), and one Mo(9) atom. In the thirteenth Se site, Se(13) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(5), one Mo(12), one Mo(5), and one Mo(9) atom. In the fourteenth Se site, Se(14) is bonded in a 6-coordinate geometry to one Li(4), one Li(7), one Mo(10), one Mo(12), one Mo(6), and one Mo(7) atom. In the fifteenth Se site, Se(15) is bonded in a 6-coordinate geometry to one Li(4), one Li(6), one Mo(1), one Mo(11), one Mo(7), and one Mo(8) atom. In the sixteenth Se site, Se(16) is bonded in a 6-coordinate geometry to one Li(1), one Li(5), one Mo(10), one Mo(12), one Mo(2), and one Mo(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7(Mo3Se4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.990
_cell_length_b   6.992
_cell_length_c   13.963
_cell_angle_alpha   94.917
_cell_angle_beta   94.893
_cell_angle_gamma   94.823
_symmetry_Int_Tables_number   1
_cell_volume   674.518
_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  0.016  0.980  0.706  1.0
  Li  Li1  1  0.026  0.596  0.987  1.0
  Li  Li2  1  0.983  0.426  0.509  1.0
  Li  Li3  1  0.874  0.091  0.021  1.0
  Li  Li4  1  0.431  0.013  0.490  1.0
  Li  Li5  1  0.976  0.020  0.298  1.0
  Li  Li6  1  0.396  0.025  0.986  1.0
  Mo  Mo7  1  0.585  0.752  0.228  1.0
  Mo  Mo8  1  0.583  0.755  0.728  1.0
  Mo  Mo9  1  0.245  0.546  0.206  1.0
  Mo  Mo10  1  0.457  0.585  0.376  1.0
  Mo  Mo11  1  0.247  0.541  0.708  1.0
  Mo  Mo12  1  0.456  0.585  0.877  1.0
  Mo  Mo13  1  0.543  0.417  0.122  1.0
  Mo  Mo14  1  0.755  0.458  0.291  1.0
  Mo  Mo15  1  0.543  0.415  0.623  1.0
  Mo  Mo16  1  0.751  0.457  0.792  1.0
  Mo  Mo17  1  0.415  0.249  0.269  1.0
  Mo  Mo18  1  0.414  0.245  0.772  1.0
  Se  Se19  1  0.291  0.875  0.312  1.0
  Se  Se20  1  0.289  0.875  0.812  1.0
  Se  Se21  1  0.376  0.711  0.062  1.0
  Se  Se22  1  0.788  0.782  0.396  1.0
  Se  Se23  1  0.372  0.705  0.563  1.0
  Se  Se24  1  0.785  0.793  0.893  1.0
  Se  Se25  1  0.873  0.626  0.145  1.0
  Se  Se26  1  0.875  0.628  0.646  1.0
  Se  Se27  1  0.125  0.378  0.352  1.0
  Se  Se28  1  0.124  0.369  0.854  1.0
  Se  Se29  1  0.209  0.215  0.105  1.0
  Se  Se30  1  0.628  0.293  0.437  1.0
  Se  Se31  1  0.210  0.208  0.604  1.0
  Se  Se32  1  0.626  0.291  0.937  1.0
  Se  Se33  1  0.711  0.124  0.185  1.0
  Se  Se34  1  0.704  0.126  0.686  1.0
[/CIF]
.