The structure described by Li4Nb2V3Ni3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and corners with three equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-64°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-64°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second Nb site, Nb(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the second V site, V(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the third V site, V(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form NiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the third Ni site, Ni(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), one V(3), and one Ni(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(3), one V(1), one V(2), and one Ni(1) atom to form corner-sharing OLiV2Ni tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one V(3), one Ni(2), and one Ni(3) atom to form corner-sharing OLiVNi2 tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), one V(3), and one Ni(3) atom. In the seventh O site, O(7) is bonded to one Li(4), one Nb(1), one V(1), and one Ni(1) atom to form distorted OLiNbVNi tetrahedra that share  a cornercorner with one O(8)LiNbVNi tetrahedra, corners with two equivalent O(4)LiV2Ni tetrahedra, and  an edgeedge with one O(8)LiNbVNi tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Nb(1), one V(2), and one Ni(1) atom to form OLiNbVNi tetrahedra that share  a cornercorner with one O(7)LiNbVNi tetrahedra, corners with two equivalent O(4)LiV2Ni tetrahedra, and  an edgeedge with one O(7)LiNbVNi tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one V(1), and one V(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), one Ni(2), and one Ni(3) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(2), one V(3), and one Ni(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(2), one V(3), and one Ni(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(3), one Ni(2), and one Ni(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one V(1), and one Ni(1) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Nb(2), one Ni(2), and one Ni(3) atom to form corner-sharing OLiNbNi2 tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one V(2), and one Ni(1) atom. is represented by the CIF file [CIF]
data_Li4Nb2V3Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.958
_cell_length_b   5.971
_cell_length_c   9.748
_cell_angle_alpha   89.888
_cell_angle_beta   90.593
_cell_angle_gamma   119.889
_symmetry_Int_Tables_number   1
_cell_volume   300.619
_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  0.687  0.342  0.898  1.0
  Li  Li1  1  0.992  0.999  0.990  1.0
  Li  Li2  1  0.992  0.998  0.494  1.0
  Li  Li3  1  0.341  0.668  0.400  1.0
  Nb  Nb4  1  0.657  0.332  0.500  1.0
  Nb  Nb5  1  0.309  0.655  0.999  1.0
  V  V6  1  0.818  0.171  0.224  1.0
  V  V7  1  0.819  0.653  0.217  1.0
  V  V8  1  0.641  0.823  0.732  1.0
  Ni  Ni9  1  0.339  0.170  0.214  1.0
  Ni  Ni10  1  0.167  0.339  0.709  1.0
  Ni  Ni11  1  0.167  0.829  0.709  1.0
  O  O12  1  0.819  0.157  0.595  1.0
  O  O13  1  0.965  0.472  0.345  1.0
  O  O14  1  0.689  0.329  0.105  1.0
  O  O15  1  0.986  0.003  0.303  1.0
  O  O16  1  0.975  0.988  0.800  1.0
  O  O17  1  0.822  0.663  0.594  1.0
  O  O18  1  0.528  0.037  0.342  1.0
  O  O19  1  0.528  0.486  0.343  1.0
  O  O20  1  0.659  0.834  0.092  1.0
  O  O21  1  0.330  0.164  0.589  1.0
  O  O22  1  0.510  0.538  0.839  1.0
  O  O23  1  0.508  0.973  0.839  1.0
  O  O24  1  0.374  0.686  0.607  1.0
  O  O25  1  0.165  0.333  0.092  1.0
  O  O26  1  0.055  0.528  0.846  1.0
  O  O27  1  0.160  0.831  0.092  1.0
[/CIF]
.
The structure described by Li4Nb2V3Ni3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, and corners with three equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-64°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-64°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the second Nb site, Nb(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the second V site, V(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the third V site, V(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form NiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the third Ni site, Ni(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), one V(3), and one Ni(2) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(3), one V(1), one V(2), and one Ni(1) atom to form corner-sharing OLiV2Ni tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one V(3), one Ni(2), and one Ni(3) atom to form corner-sharing OLiVNi2 tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), one V(3), and one Ni(3) atom. In the seventh O site, O(7) is bonded to one Li(4), one Nb(1), one V(1), and one Ni(1) atom to form distorted OLiNbVNi tetrahedra that share  a cornercorner with one O(8)LiNbVNi tetrahedra, corners with two equivalent O(4)LiV2Ni tetrahedra, and  an edgeedge with one O(8)LiNbVNi tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Nb(1), one V(2), and one Ni(1) atom to form OLiNbVNi tetrahedra that share  a cornercorner with one O(7)LiNbVNi tetrahedra, corners with two equivalent O(4)LiV2Ni tetrahedra, and  an edgeedge with one O(7)LiNbVNi tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one V(1), and one V(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), one Ni(2), and one Ni(3) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(2), one V(3), and one Ni(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Nb(2), one V(3), and one Ni(3) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(3), one Ni(2), and one Ni(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one V(1), and one Ni(1) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Nb(2), one Ni(2), and one Ni(3) atom to form corner-sharing OLiNbNi2 tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one V(2), and one Ni(1) atom. is represented by the CIF file [CIF]
data_Li4Nb2V3Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.958
_cell_length_b   5.971
_cell_length_c   9.748
_cell_angle_alpha   89.888
_cell_angle_beta   90.593
_cell_angle_gamma   119.889
_symmetry_Int_Tables_number   1
_cell_volume   300.619
_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  0.687  0.342  0.898  1.0
  Li  Li1  1  0.992  0.999  0.990  1.0
  Li  Li2  1  0.992  0.998  0.494  1.0
  Li  Li3  1  0.341  0.668  0.400  1.0
  Nb  Nb4  1  0.657  0.332  0.500  1.0
  Nb  Nb5  1  0.309  0.655  0.999  1.0
  V  V6  1  0.818  0.171  0.224  1.0
  V  V7  1  0.819  0.653  0.217  1.0
  V  V8  1  0.641  0.823  0.732  1.0
  Ni  Ni9  1  0.339  0.170  0.214  1.0
  Ni  Ni10  1  0.167  0.339  0.709  1.0
  Ni  Ni11  1  0.167  0.829  0.709  1.0
  O  O12  1  0.819  0.157  0.595  1.0
  O  O13  1  0.965  0.472  0.345  1.0
  O  O14  1  0.689  0.329  0.105  1.0
  O  O15  1  0.986  0.003  0.303  1.0
  O  O16  1  0.975  0.988  0.800  1.0
  O  O17  1  0.822  0.663  0.594  1.0
  O  O18  1  0.528  0.037  0.342  1.0
  O  O19  1  0.528  0.486  0.343  1.0
  O  O20  1  0.659  0.834  0.092  1.0
  O  O21  1  0.330  0.164  0.589  1.0
  O  O22  1  0.510  0.538  0.839  1.0
  O  O23  1  0.508  0.973  0.839  1.0
  O  O24  1  0.374  0.686  0.607  1.0
  O  O25  1  0.165  0.333  0.092  1.0
  O  O26  1  0.055  0.528  0.846  1.0
  O  O27  1  0.160  0.831  0.092  1.0
[/CIF]
.