The material structure described by Li4V5Cr3O16 is Spinel-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(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. 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(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with three equivalent V(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-65°. 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(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-64°. 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(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and corners with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. There are five inequivalent V sites. In the first V site, V(1) 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 VO6 octahedra that share corners with two equivalent V(2)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 V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second V site, V(2) 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 VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the third V site, V(3) 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 VO6 octahedra that share corners with two equivalent V(4)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 V(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth V site, V(4) 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 VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fifth V site, V(5) 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 VO6 octahedra that share corners with two equivalent V(2)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 V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cr(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 Cr sites. In the first Cr site, Cr(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 CrO6 octahedra that share corners with two equivalent V(4)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 V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Cr site, Cr(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 CrO6 octahedra that share corners with two equivalent V(4)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 V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the third Cr site, Cr(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 CrO6 octahedra that share corners with two equivalent V(2)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 V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. 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 V(1), one V(2), and one Cr(3) atom. In the second O site, O(2) is bonded to one Li(4), one V(2), one Cr(1), and one Cr(2) atom to form distorted corner-sharing OLiVCr2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(3), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one V(3), one Cr(1), and one Cr(2) atom to form corner-sharing OLiVCr2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one V(1), one V(5), and one Cr(3) atom to form corner-sharing OLiV2Cr tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(2), one V(5), and one Cr(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(2), one V(3), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(2), one V(3), and one Cr(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one Cr(1), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), one V(2), and one V(5) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(4), and one Cr(3) atom. In the twelfth O site, O(12) is bonded to one Li(1), one V(4), one V(5), and one Cr(3) atom to form distorted corner-sharing OLiV2Cr tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(5), and one Cr(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Cr(1) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(4), and one V(5) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Cr(2) atom. is represented by the CIF card [CIF]
data_Li4V5Cr3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.867
_cell_length_b   5.903
_cell_length_c   9.522
_cell_angle_alpha   89.962
_cell_angle_beta   90.146
_cell_angle_gamma   119.688
_symmetry_Int_Tables_number   1
_cell_volume   286.470
_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  0.330  0.667  0.895  1.0
  Li  Li1  1  0.001  1.000  0.995  1.0
  Li  Li2  1  0.003  0.002  0.496  1.0
  Li  Li3  1  0.664  0.334  0.392  1.0
  V  V4  1  0.349  0.176  0.716  1.0
  V  V5  1  0.336  0.668  0.490  1.0
  V  V6  1  0.173  0.829  0.215  1.0
  V  V7  1  0.672  0.330  0.991  1.0
  V  V8  1  0.830  0.658  0.712  1.0
  Cr  Cr9  1  0.172  0.339  0.214  1.0
  Cr  Cr10  1  0.660  0.828  0.214  1.0
  Cr  Cr11  1  0.832  0.170  0.713  1.0
  O  O12  1  0.172  0.338  0.596  1.0
  O  O13  1  0.479  0.523  0.341  1.0
  O  O14  1  0.323  0.674  0.105  1.0
  O  O15  1  0.006  0.995  0.308  1.0
  O  O16  1  0.014  0.007  0.807  1.0
  O  O17  1  0.663  0.829  0.596  1.0
  O  O18  1  0.042  0.527  0.344  1.0
  O  O19  1  0.475  0.960  0.343  1.0
  O  O20  1  0.828  0.169  0.095  1.0
  O  O21  1  0.173  0.836  0.597  1.0
  O  O22  1  0.518  0.040  0.842  1.0
  O  O23  1  0.957  0.479  0.843  1.0
  O  O24  1  0.649  0.322  0.601  1.0
  O  O25  1  0.333  0.164  0.098  1.0
  O  O26  1  0.512  0.470  0.848  1.0
  O  O27  1  0.835  0.667  0.096  1.0
[/CIF]
.
The material structure described by Li4V5Cr3O16 is Spinel-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(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. 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(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with three equivalent V(4)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-65°. 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(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with three equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-64°. 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(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and corners with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-64°. There are five inequivalent V sites. In the first V site, V(1) 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 VO6 octahedra that share corners with two equivalent V(2)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 V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second V site, V(2) 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 VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the third V site, V(3) 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 VO6 octahedra that share corners with two equivalent V(4)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 V(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth V site, V(4) 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 VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, and  an edgeedge with one Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fifth V site, V(5) 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 VO6 octahedra that share corners with two equivalent V(2)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 V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Cr(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 Cr sites. In the first Cr site, Cr(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 CrO6 octahedra that share corners with two equivalent V(4)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 V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Cr site, Cr(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 CrO6 octahedra that share corners with two equivalent V(4)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 V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the third Cr site, Cr(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 CrO6 octahedra that share corners with two equivalent V(2)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 V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. 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 V(1), one V(2), and one Cr(3) atom. In the second O site, O(2) is bonded to one Li(4), one V(2), one Cr(1), and one Cr(2) atom to form distorted corner-sharing OLiVCr2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(3), one Cr(1), and one Cr(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one V(3), one Cr(1), and one Cr(2) atom to form corner-sharing OLiVCr2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one V(1), one V(5), and one Cr(3) atom to form corner-sharing OLiV2Cr tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(2), one V(5), and one Cr(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(2), one V(3), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one V(2), one V(3), and one Cr(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one Cr(1), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(1), one V(2), and one V(5) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(4), and one Cr(3) atom. In the twelfth O site, O(12) is bonded to one Li(1), one V(4), one V(5), and one Cr(3) atom to form distorted corner-sharing OLiV2Cr tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(1), one V(5), and one Cr(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Cr(1) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(4), and one V(5) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one V(4), and one Cr(2) atom. is represented by the CIF card [CIF]
data_Li4V5Cr3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.867
_cell_length_b   5.903
_cell_length_c   9.522
_cell_angle_alpha   89.962
_cell_angle_beta   90.146
_cell_angle_gamma   119.688
_symmetry_Int_Tables_number   1
_cell_volume   286.470
_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  0.330  0.667  0.895  1.0
  Li  Li1  1  0.001  1.000  0.995  1.0
  Li  Li2  1  0.003  0.002  0.496  1.0
  Li  Li3  1  0.664  0.334  0.392  1.0
  V  V4  1  0.349  0.176  0.716  1.0
  V  V5  1  0.336  0.668  0.490  1.0
  V  V6  1  0.173  0.829  0.215  1.0
  V  V7  1  0.672  0.330  0.991  1.0
  V  V8  1  0.830  0.658  0.712  1.0
  Cr  Cr9  1  0.172  0.339  0.214  1.0
  Cr  Cr10  1  0.660  0.828  0.214  1.0
  Cr  Cr11  1  0.832  0.170  0.713  1.0
  O  O12  1  0.172  0.338  0.596  1.0
  O  O13  1  0.479  0.523  0.341  1.0
  O  O14  1  0.323  0.674  0.105  1.0
  O  O15  1  0.006  0.995  0.308  1.0
  O  O16  1  0.014  0.007  0.807  1.0
  O  O17  1  0.663  0.829  0.596  1.0
  O  O18  1  0.042  0.527  0.344  1.0
  O  O19  1  0.475  0.960  0.343  1.0
  O  O20  1  0.828  0.169  0.095  1.0
  O  O21  1  0.173  0.836  0.597  1.0
  O  O22  1  0.518  0.040  0.842  1.0
  O  O23  1  0.957  0.479  0.843  1.0
  O  O24  1  0.649  0.322  0.601  1.0
  O  O25  1  0.333  0.164  0.098  1.0
  O  O26  1  0.512  0.470  0.848  1.0
  O  O27  1  0.835  0.667  0.096  1.0
[/CIF]
.