The structure described by Li7Nb12O24 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Nb(1)O6 pentagonal pyramid,  a cornercorner with one Nb(2)O6 pentagonal pyramid,  a cornercorner with one Nb(3)O6 pentagonal pyramid,  a cornercorner with one Nb(4)O6 pentagonal pyramid,  a cornercorner with one Nb(5)O6 pentagonal pyramid,  a cornercorner with one Nb(6)O6 pentagonal pyramid,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one Nb(2)O6 pentagonal pyramid,  an edgeedge with one Nb(5)O6 pentagonal pyramid, edges with two equivalent Nb(1)O6 pentagonal pyramids, and edges with two equivalent Nb(3)O6 pentagonal pyramids. In the second Li site, Li(2) is bonded to one O(4), one O(6), one O(8), one O(9), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Nb(2)O6 pentagonal pyramids, corners with two equivalent Nb(3)O6 pentagonal pyramids, corners with two equivalent Nb(6)O6 pentagonal pyramids,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Nb(2)O6 pentagonal pyramid,  an edgeedge with one Nb(3)O6 pentagonal pyramid,  an edgeedge with one Nb(4)O6 pentagonal pyramid,  an edgeedge with one Nb(5)O6 pentagonal pyramid, and edges with two equivalent Nb(1)O6 pentagonal pyramids. In the third Li site, Li(3) is bonded to two equivalent O(12), two equivalent O(8), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Nb(2)O6 pentagonal pyramids, corners with two equivalent Nb(3)O6 pentagonal pyramids, corners with two equivalent Nb(6)O6 pentagonal pyramids, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Nb(4)O6 pentagonal pyramids, edges with two equivalent Nb(5)O6 pentagonal pyramids, and edges with two equivalent Nb(6)O6 pentagonal pyramids. In the fourth Li site, Li(4) is bonded to one O(5), one O(7), two equivalent O(10), and two equivalent O(11) atoms to form LiO6 octahedra that share  a cornercorner with one Nb(1)O6 pentagonal pyramid,  a cornercorner with one Nb(2)O6 pentagonal pyramid,  a cornercorner with one Nb(3)O6 pentagonal pyramid,  a cornercorner with one Nb(4)O6 pentagonal pyramid,  a cornercorner with one Nb(5)O6 pentagonal pyramid,  a cornercorner with one Nb(6)O6 pentagonal pyramid,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra,  an edgeedge with one Nb(2)O6 pentagonal pyramid,  an edgeedge with one Nb(5)O6 pentagonal pyramid, edges with two equivalent Nb(4)O6 pentagonal pyramids, and edges with two equivalent Nb(6)O6 pentagonal pyramids. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NbO6 pentagonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra,  an edgeedge with one Nb(4)O6 pentagonal pyramid,  an edgeedge with one Nb(5)O6 pentagonal pyramid, edges with two equivalent Nb(2)O6 pentagonal pyramids, and edges with two equivalent Nb(3)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 4-6°. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form distorted NbO6 pentagonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Nb(3)O6 pentagonal pyramid,  an edgeedge with one Nb(6)O6 pentagonal pyramid, edges with two equivalent Nb(1)O6 pentagonal pyramids, and edges with two equivalent Nb(4)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 4-7°. In the third Nb site, Nb(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted NbO6 pentagonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one Nb(2)O6 pentagonal pyramid,  an edgeedge with one Nb(6)O6 pentagonal pyramid, edges with two equivalent Nb(1)O6 pentagonal pyramids, and edges with two equivalent Nb(5)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 3-7°. In the fourth Nb site, Nb(4) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(9) atom to form distorted NbO6 pentagonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra,  an edgeedge with one Nb(1)O6 pentagonal pyramid,  an edgeedge with one Nb(5)O6 pentagonal pyramid, edges with two equivalent Nb(2)O6 pentagonal pyramids, and edges with two equivalent Nb(6)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 4-6°. In the fifth Nb site, Nb(5) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form distorted NbO6 pentagonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Nb(1)O6 pentagonal pyramid,  an edgeedge with one Nb(4)O6 pentagonal pyramid, edges with two equivalent Nb(3)O6 pentagonal pyramids, and edges with two equivalent Nb(6)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the sixth Nb site, Nb(6) is bonded to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom to form distorted NbO6 pentagonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra,  an edgeedge with one Nb(2)O6 pentagonal pyramid,  an edgeedge with one Nb(3)O6 pentagonal pyramid, edges with two equivalent Nb(4)O6 pentagonal pyramids, and edges with two equivalent Nb(5)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 3-7°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Nb(1), one Nb(2), and one Nb(3) atom to form a mixture of corner, edge, and face-sharing OLi2Nb3 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(2), one Nb(1), one Nb(2), and one Nb(3) atom to form a mixture of corner, edge, and face-sharing OLi2Nb3 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Nb(1), one Nb(3), and one Nb(5) atom to form a mixture of corner and edge-sharing OLi2Nb3 square pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Nb(3), and one Nb(5) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Nb(1), one Nb(2), and one Nb(4) atom to form a mixture of corner and edge-sharing OLi2Nb3 square pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Nb(2), and one Nb(4) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Nb(3), one Nb(5), and one Nb(6) atom to form a mixture of corner, edge, and face-sharing OLi2Nb3 square pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Nb(3), one Nb(5), and one Nb(6) atom to form a mixture of corner, edge, and face-sharing OLi2Nb3 square pyramids. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Nb(2), one Nb(4), and one Nb(6) atom to form a mixture of corner, edge, and face-sharing OLi2Nb3 square pyramids. In the tenth O site, O(10) is bonded to two equivalent Li(4), one Nb(2), one Nb(4), and one Nb(6) atom to form a mixture of corner, edge, and face-sharing OLi2Nb3 square pyramids. In the eleventh O site, O(11) is bonded to two equivalent Li(4), one Nb(4), one Nb(5), and one Nb(6) atom to form a mixture of corner and edge-sharing OLi2Nb3 square pyramids. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(4), one Nb(5), and one Nb(6) atom. is represented by the CIF file [CIF]
data_Li7Nb12O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.147
_cell_length_b   8.926
_cell_length_c   11.021
_cell_angle_alpha   97.759
_cell_angle_beta   103.395
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   487.734
_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  0.747  0.583  1.000  1.0
  Li  Li1  1  0.253  0.417  0.000  1.0
  Li  Li2  1  0.000  0.334  0.501  1.0
  Li  Li3  1  0.000  0.000  0.500  1.0
  Li  Li4  1  0.253  0.083  0.000  1.0
  Li  Li5  1  0.747  0.917  1.000  1.0
  Li  Li6  1  1.000  0.666  0.499  1.0
  Nb  Nb7  1  0.040  0.454  0.247  1.0
  Nb  Nb8  1  0.960  0.546  0.753  1.0
  Nb  Nb9  1  0.548  0.292  0.253  1.0
  Nb  Nb10  1  0.462  0.372  0.747  1.0
  Nb  Nb11  1  0.040  0.128  0.247  1.0
  Nb  Nb12  1  0.951  0.209  0.752  1.0
  Nb  Nb13  1  0.538  0.956  0.253  1.0
  Nb  Nb14  1  0.462  0.044  0.747  1.0
  Nb  Nb15  1  0.049  0.791  0.248  1.0
  Nb  Nb16  1  0.960  0.872  0.753  1.0
  Nb  Nb17  1  0.538  0.628  0.253  1.0
  Nb  Nb18  1  0.452  0.708  0.747  1.0
  O  O19  1  0.358  0.555  0.868  1.0
  O  O20  1  0.777  0.480  0.371  1.0
  O  O21  1  0.223  0.520  0.629  1.0
  O  O22  1  0.642  0.445  0.132  1.0
  O  O23  1  0.856  0.400  0.871  1.0
  O  O24  1  0.747  0.357  0.635  1.0
  O  O25  1  0.161  0.271  0.129  1.0
  O  O26  1  0.258  0.311  0.365  1.0
  O  O27  1  0.343  0.228  0.868  1.0
  O  O28  1  0.220  0.188  0.630  1.0
  O  O29  1  0.777  0.144  0.371  1.0
  O  O30  1  0.642  0.099  0.132  1.0
  O  O31  1  0.856  0.057  0.871  1.0
  O  O32  1  0.253  0.979  0.365  1.0
  O  O33  1  0.144  0.943  0.129  1.0
  O  O34  1  0.747  0.021  0.635  1.0
  O  O35  1  0.358  0.901  0.868  1.0
  O  O36  1  0.657  0.772  0.132  1.0
  O  O37  1  0.780  0.812  0.370  1.0
  O  O38  1  0.223  0.856  0.629  1.0
  O  O39  1  0.839  0.729  0.871  1.0
  O  O40  1  0.742  0.689  0.635  1.0
  O  O41  1  0.253  0.643  0.365  1.0
  O  O42  1  0.144  0.600  0.129  1.0
[/CIF]
.
The structure described by Li7Nb12O24 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Nb(1)O6 pentagonal pyramid,  a cornercorner with one Nb(2)O6 pentagonal pyramid,  a cornercorner with one Nb(3)O6 pentagonal pyramid,  a cornercorner with one Nb(4)O6 pentagonal pyramid,  a cornercorner with one Nb(5)O6 pentagonal pyramid,  a cornercorner with one Nb(6)O6 pentagonal pyramid,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one Nb(2)O6 pentagonal pyramid,  an edgeedge with one Nb(5)O6 pentagonal pyramid, edges with two equivalent Nb(1)O6 pentagonal pyramids, and edges with two equivalent Nb(3)O6 pentagonal pyramids. In the second Li site, Li(2) is bonded to one O(4), one O(6), one O(8), one O(9), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Nb(2)O6 pentagonal pyramids, corners with two equivalent Nb(3)O6 pentagonal pyramids, corners with two equivalent Nb(6)O6 pentagonal pyramids,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Nb(2)O6 pentagonal pyramid,  an edgeedge with one Nb(3)O6 pentagonal pyramid,  an edgeedge with one Nb(4)O6 pentagonal pyramid,  an edgeedge with one Nb(5)O6 pentagonal pyramid, and edges with two equivalent Nb(1)O6 pentagonal pyramids. In the third Li site, Li(3) is bonded to two equivalent O(12), two equivalent O(8), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Nb(2)O6 pentagonal pyramids, corners with two equivalent Nb(3)O6 pentagonal pyramids, corners with two equivalent Nb(6)O6 pentagonal pyramids, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Nb(4)O6 pentagonal pyramids, edges with two equivalent Nb(5)O6 pentagonal pyramids, and edges with two equivalent Nb(6)O6 pentagonal pyramids. In the fourth Li site, Li(4) is bonded to one O(5), one O(7), two equivalent O(10), and two equivalent O(11) atoms to form LiO6 octahedra that share  a cornercorner with one Nb(1)O6 pentagonal pyramid,  a cornercorner with one Nb(2)O6 pentagonal pyramid,  a cornercorner with one Nb(3)O6 pentagonal pyramid,  a cornercorner with one Nb(4)O6 pentagonal pyramid,  a cornercorner with one Nb(5)O6 pentagonal pyramid,  a cornercorner with one Nb(6)O6 pentagonal pyramid,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra,  an edgeedge with one Nb(2)O6 pentagonal pyramid,  an edgeedge with one Nb(5)O6 pentagonal pyramid, edges with two equivalent Nb(4)O6 pentagonal pyramids, and edges with two equivalent Nb(6)O6 pentagonal pyramids. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NbO6 pentagonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra,  an edgeedge with one Nb(4)O6 pentagonal pyramid,  an edgeedge with one Nb(5)O6 pentagonal pyramid, edges with two equivalent Nb(2)O6 pentagonal pyramids, and edges with two equivalent Nb(3)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 4-6°. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form distorted NbO6 pentagonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Nb(3)O6 pentagonal pyramid,  an edgeedge with one Nb(6)O6 pentagonal pyramid, edges with two equivalent Nb(1)O6 pentagonal pyramids, and edges with two equivalent Nb(4)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 4-7°. In the third Nb site, Nb(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted NbO6 pentagonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one Nb(2)O6 pentagonal pyramid,  an edgeedge with one Nb(6)O6 pentagonal pyramid, edges with two equivalent Nb(1)O6 pentagonal pyramids, and edges with two equivalent Nb(5)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 3-7°. In the fourth Nb site, Nb(4) is bonded to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(9) atom to form distorted NbO6 pentagonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra,  an edgeedge with one Nb(1)O6 pentagonal pyramid,  an edgeedge with one Nb(5)O6 pentagonal pyramid, edges with two equivalent Nb(2)O6 pentagonal pyramids, and edges with two equivalent Nb(6)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 4-6°. In the fifth Nb site, Nb(5) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form distorted NbO6 pentagonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Nb(1)O6 pentagonal pyramid,  an edgeedge with one Nb(4)O6 pentagonal pyramid, edges with two equivalent Nb(3)O6 pentagonal pyramids, and edges with two equivalent Nb(6)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the sixth Nb site, Nb(6) is bonded to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom to form distorted NbO6 pentagonal pyramids that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra,  an edgeedge with one Nb(2)O6 pentagonal pyramid,  an edgeedge with one Nb(3)O6 pentagonal pyramid, edges with two equivalent Nb(4)O6 pentagonal pyramids, and edges with two equivalent Nb(5)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 3-7°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Nb(1), one Nb(2), and one Nb(3) atom to form a mixture of corner, edge, and face-sharing OLi2Nb3 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(2), one Nb(1), one Nb(2), and one Nb(3) atom to form a mixture of corner, edge, and face-sharing OLi2Nb3 square pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Nb(1), one Nb(3), and one Nb(5) atom to form a mixture of corner and edge-sharing OLi2Nb3 square pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Nb(3), and one Nb(5) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Nb(1), one Nb(2), and one Nb(4) atom to form a mixture of corner and edge-sharing OLi2Nb3 square pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Nb(2), and one Nb(4) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Nb(3), one Nb(5), and one Nb(6) atom to form a mixture of corner, edge, and face-sharing OLi2Nb3 square pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Nb(3), one Nb(5), and one Nb(6) atom to form a mixture of corner, edge, and face-sharing OLi2Nb3 square pyramids. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Nb(2), one Nb(4), and one Nb(6) atom to form a mixture of corner, edge, and face-sharing OLi2Nb3 square pyramids. In the tenth O site, O(10) is bonded to two equivalent Li(4), one Nb(2), one Nb(4), and one Nb(6) atom to form a mixture of corner, edge, and face-sharing OLi2Nb3 square pyramids. In the eleventh O site, O(11) is bonded to two equivalent Li(4), one Nb(4), one Nb(5), and one Nb(6) atom to form a mixture of corner and edge-sharing OLi2Nb3 square pyramids. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(4), one Nb(5), and one Nb(6) atom. is represented by the CIF file [CIF]
data_Li7Nb12O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.147
_cell_length_b   8.926
_cell_length_c   11.021
_cell_angle_alpha   97.759
_cell_angle_beta   103.395
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   487.734
_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  0.747  0.583  1.000  1.0
  Li  Li1  1  0.253  0.417  0.000  1.0
  Li  Li2  1  0.000  0.334  0.501  1.0
  Li  Li3  1  0.000  0.000  0.500  1.0
  Li  Li4  1  0.253  0.083  0.000  1.0
  Li  Li5  1  0.747  0.917  1.000  1.0
  Li  Li6  1  1.000  0.666  0.499  1.0
  Nb  Nb7  1  0.040  0.454  0.247  1.0
  Nb  Nb8  1  0.960  0.546  0.753  1.0
  Nb  Nb9  1  0.548  0.292  0.253  1.0
  Nb  Nb10  1  0.462  0.372  0.747  1.0
  Nb  Nb11  1  0.040  0.128  0.247  1.0
  Nb  Nb12  1  0.951  0.209  0.752  1.0
  Nb  Nb13  1  0.538  0.956  0.253  1.0
  Nb  Nb14  1  0.462  0.044  0.747  1.0
  Nb  Nb15  1  0.049  0.791  0.248  1.0
  Nb  Nb16  1  0.960  0.872  0.753  1.0
  Nb  Nb17  1  0.538  0.628  0.253  1.0
  Nb  Nb18  1  0.452  0.708  0.747  1.0
  O  O19  1  0.358  0.555  0.868  1.0
  O  O20  1  0.777  0.480  0.371  1.0
  O  O21  1  0.223  0.520  0.629  1.0
  O  O22  1  0.642  0.445  0.132  1.0
  O  O23  1  0.856  0.400  0.871  1.0
  O  O24  1  0.747  0.357  0.635  1.0
  O  O25  1  0.161  0.271  0.129  1.0
  O  O26  1  0.258  0.311  0.365  1.0
  O  O27  1  0.343  0.228  0.868  1.0
  O  O28  1  0.220  0.188  0.630  1.0
  O  O29  1  0.777  0.144  0.371  1.0
  O  O30  1  0.642  0.099  0.132  1.0
  O  O31  1  0.856  0.057  0.871  1.0
  O  O32  1  0.253  0.979  0.365  1.0
  O  O33  1  0.144  0.943  0.129  1.0
  O  O34  1  0.747  0.021  0.635  1.0
  O  O35  1  0.358  0.901  0.868  1.0
  O  O36  1  0.657  0.772  0.132  1.0
  O  O37  1  0.780  0.812  0.370  1.0
  O  O38  1  0.223  0.856  0.629  1.0
  O  O39  1  0.839  0.729  0.871  1.0
  O  O40  1  0.742  0.689  0.635  1.0
  O  O41  1  0.253  0.643  0.365  1.0
  O  O42  1  0.144  0.600  0.129  1.0
[/CIF]
.