The structure described by Li4Ti3V3(CuO8)2 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and corners with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-69°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. 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 Ti(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-68°. There are three inequivalent Ti sites. In the first Ti site, Ti(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 TiO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the second Ti site, Ti(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 TiO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. In the third Ti site, Ti(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 distorted TiO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are three inequivalent V sites. In the first V site, V(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 VO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second V site, V(2) 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 Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the third V site, V(3) 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 Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are two inequivalent Cu sites. In the first Cu site, Cu(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 CuO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the second Cu site, Cu(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 CuO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. 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 Ti(3), one V(3), and one Cu(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one Ti(1), one Ti(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one V(1) atom. In the fourth O site, O(4) is bonded to one Li(3), one Ti(1), one Ti(2), and one V(1) atom to form distorted OLiTi2V tetrahedra that share corners with two equivalent O(7)LiTiVCu tetrahedra, corners with two equivalent O(8)LiTiVCu tetrahedra, and  a cornercorner with one O(10)LiV2Cu trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Ti(3), one V(2), and one V(3) atom to form distorted OLiTiV2 tetrahedra that share corners with two equivalent O(12)LiTiVCu tetrahedra, corners with two equivalent O(15)LiV2Cu tetrahedra, and  an edgeedge with one O(10)LiV2Cu trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(3), one V(2), and one Cu(1) atom. In the seventh O site, O(7) is bonded to one Li(4), one Ti(1), one V(1), and one Cu(1) atom to form distorted OLiTiVCu tetrahedra that share  a cornercorner with one O(8)LiTiVCu tetrahedra, corners with two equivalent O(4)LiTi2V tetrahedra,  a cornercorner with one O(10)LiV2Cu trigonal pyramid, and  an edgeedge with one O(8)LiTiVCu tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Ti(2), one V(1), and one Cu(1) atom to form OLiTiVCu tetrahedra that share  a cornercorner with one O(7)LiTiVCu tetrahedra, corners with two equivalent O(4)LiTi2V tetrahedra,  a cornercorner with one O(10)LiV2Cu trigonal pyramid, and  an edgeedge with one O(7)LiTiVCu tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Ti(2), and one Cu(2) atom. In the tenth O site, O(10) is bonded to one Li(3), one V(2), one V(3), and one Cu(1) atom to form distorted OLiV2Cu trigonal pyramids that share  a cornercorner with one O(4)LiTi2V tetrahedra,  a cornercorner with one O(12)LiTiVCu tetrahedra,  a cornercorner with one O(7)LiTiVCu tetrahedra,  a cornercorner with one O(8)LiTiVCu tetrahedra, corners with two equivalent O(15)LiV2Cu tetrahedra, and  an edgeedge with one O(5)LiTiV2 tetrahedra. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Ti(3), one V(3), and one Cu(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(3), one V(2), and one Cu(2) atom to form distorted OLiTiVCu tetrahedra that share  a cornercorner with one O(15)LiV2Cu tetrahedra, corners with two equivalent O(5)LiTiV2 tetrahedra,  a cornercorner with one O(10)LiV2Cu trigonal pyramid, and  an edgeedge with one O(15)LiV2Cu tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(3), one V(2), and one V(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(1), and one Cu(2) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one V(2), one V(3), and one Cu(2) atom to form OLiV2Cu tetrahedra that share  a cornercorner with one O(12)LiTiVCu tetrahedra, corners with two equivalent O(5)LiTiV2 tetrahedra, corners with two equivalent O(10)LiV2Cu trigonal pyramids, and  an edgeedge with one O(12)LiTiVCu tetrahedra. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(2), one V(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_Li4Ti3V3(CuO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.838
_cell_length_b   5.874
_cell_length_c   9.812
_cell_angle_alpha   91.150
_cell_angle_beta   92.409
_cell_angle_gamma   118.880
_symmetry_Int_Tables_number   1
_cell_volume   294.062
_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  0.322  0.661  0.104  1.0
  Li  Li1  1  0.022  0.022  0.005  1.0
  Li  Li2  1  0.020  0.007  0.503  1.0
  Li  Li3  1  0.654  0.322  0.604  1.0
  Ti  Ti4  1  0.192  0.347  0.780  1.0
  Ti  Ti5  1  0.156  0.819  0.780  1.0
  Ti  Ti6  1  0.344  0.191  0.280  1.0
  V  V7  1  0.669  0.851  0.794  1.0
  V  V8  1  0.850  0.659  0.292  1.0
  V  V9  1  0.819  0.150  0.285  1.0
  Cu  Cu10  1  0.333  0.667  0.506  1.0
  Cu  Cu11  1  0.668  0.329  0.006  1.0
  O  O12  1  0.156  0.320  0.392  1.0
  O  O13  1  0.008  0.507  0.683  1.0
  O  O14  1  0.341  0.679  0.895  1.0
  O  O15  1  0.992  0.003  0.686  1.0
  O  O16  1  0.997  0.989  0.187  1.0
  O  O17  1  0.173  0.835  0.395  1.0
  O  O18  1  0.463  0.509  0.663  1.0
  O  O19  1  0.470  0.952  0.670  1.0
  O  O20  1  0.332  0.171  0.894  1.0
  O  O21  1  0.705  0.835  0.388  1.0
  O  O22  1  0.514  0.017  0.182  1.0
  O  O23  1  0.497  0.465  0.168  1.0
  O  O24  1  0.673  0.337  0.397  1.0
  O  O25  1  0.844  0.170  0.896  1.0
  O  O26  1  0.946  0.477  0.165  1.0
  O  O27  1  0.842  0.707  0.890  1.0
[/CIF]
.
The structure described by Li4Ti3V3(CuO8)2 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and corners with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-69°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. 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 Ti(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-68°. There are three inequivalent Ti sites. In the first Ti site, Ti(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 TiO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the second Ti site, Ti(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 TiO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. In the third Ti site, Ti(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 distorted TiO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. There are three inequivalent V sites. In the first V site, V(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 VO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second V site, V(2) 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 Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the third V site, V(3) 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 Cu(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are two inequivalent Cu sites. In the first Cu site, Cu(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 CuO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the second Cu site, Cu(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 CuO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. 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 Ti(3), one V(3), and one Cu(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one Ti(1), one Ti(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one V(1) atom. In the fourth O site, O(4) is bonded to one Li(3), one Ti(1), one Ti(2), and one V(1) atom to form distorted OLiTi2V tetrahedra that share corners with two equivalent O(7)LiTiVCu tetrahedra, corners with two equivalent O(8)LiTiVCu tetrahedra, and  a cornercorner with one O(10)LiV2Cu trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Ti(3), one V(2), and one V(3) atom to form distorted OLiTiV2 tetrahedra that share corners with two equivalent O(12)LiTiVCu tetrahedra, corners with two equivalent O(15)LiV2Cu tetrahedra, and  an edgeedge with one O(10)LiV2Cu trigonal pyramid. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(3), one V(2), and one Cu(1) atom. In the seventh O site, O(7) is bonded to one Li(4), one Ti(1), one V(1), and one Cu(1) atom to form distorted OLiTiVCu tetrahedra that share  a cornercorner with one O(8)LiTiVCu tetrahedra, corners with two equivalent O(4)LiTi2V tetrahedra,  a cornercorner with one O(10)LiV2Cu trigonal pyramid, and  an edgeedge with one O(8)LiTiVCu tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Ti(2), one V(1), and one Cu(1) atom to form OLiTiVCu tetrahedra that share  a cornercorner with one O(7)LiTiVCu tetrahedra, corners with two equivalent O(4)LiTi2V tetrahedra,  a cornercorner with one O(10)LiV2Cu trigonal pyramid, and  an edgeedge with one O(7)LiTiVCu tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Ti(2), and one Cu(2) atom. In the tenth O site, O(10) is bonded to one Li(3), one V(2), one V(3), and one Cu(1) atom to form distorted OLiV2Cu trigonal pyramids that share  a cornercorner with one O(4)LiTi2V tetrahedra,  a cornercorner with one O(12)LiTiVCu tetrahedra,  a cornercorner with one O(7)LiTiVCu tetrahedra,  a cornercorner with one O(8)LiTiVCu tetrahedra, corners with two equivalent O(15)LiV2Cu tetrahedra, and  an edgeedge with one O(5)LiTiV2 tetrahedra. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Ti(3), one V(3), and one Cu(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(3), one V(2), and one Cu(2) atom to form distorted OLiTiVCu tetrahedra that share  a cornercorner with one O(15)LiV2Cu tetrahedra, corners with two equivalent O(5)LiTiV2 tetrahedra,  a cornercorner with one O(10)LiV2Cu trigonal pyramid, and  an edgeedge with one O(15)LiV2Cu tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(3), one V(2), and one V(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(1), and one Cu(2) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one V(2), one V(3), and one Cu(2) atom to form OLiV2Cu tetrahedra that share  a cornercorner with one O(12)LiTiVCu tetrahedra, corners with two equivalent O(5)LiTiV2 tetrahedra, corners with two equivalent O(10)LiV2Cu trigonal pyramids, and  an edgeedge with one O(12)LiTiVCu tetrahedra. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(2), one V(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_Li4Ti3V3(CuO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.838
_cell_length_b   5.874
_cell_length_c   9.812
_cell_angle_alpha   91.150
_cell_angle_beta   92.409
_cell_angle_gamma   118.880
_symmetry_Int_Tables_number   1
_cell_volume   294.062
_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  0.322  0.661  0.104  1.0
  Li  Li1  1  0.022  0.022  0.005  1.0
  Li  Li2  1  0.020  0.007  0.503  1.0
  Li  Li3  1  0.654  0.322  0.604  1.0
  Ti  Ti4  1  0.192  0.347  0.780  1.0
  Ti  Ti5  1  0.156  0.819  0.780  1.0
  Ti  Ti6  1  0.344  0.191  0.280  1.0
  V  V7  1  0.669  0.851  0.794  1.0
  V  V8  1  0.850  0.659  0.292  1.0
  V  V9  1  0.819  0.150  0.285  1.0
  Cu  Cu10  1  0.333  0.667  0.506  1.0
  Cu  Cu11  1  0.668  0.329  0.006  1.0
  O  O12  1  0.156  0.320  0.392  1.0
  O  O13  1  0.008  0.507  0.683  1.0
  O  O14  1  0.341  0.679  0.895  1.0
  O  O15  1  0.992  0.003  0.686  1.0
  O  O16  1  0.997  0.989  0.187  1.0
  O  O17  1  0.173  0.835  0.395  1.0
  O  O18  1  0.463  0.509  0.663  1.0
  O  O19  1  0.470  0.952  0.670  1.0
  O  O20  1  0.332  0.171  0.894  1.0
  O  O21  1  0.705  0.835  0.388  1.0
  O  O22  1  0.514  0.017  0.182  1.0
  O  O23  1  0.497  0.465  0.168  1.0
  O  O24  1  0.673  0.337  0.397  1.0
  O  O25  1  0.844  0.170  0.896  1.0
  O  O26  1  0.946  0.477  0.165  1.0
  O  O27  1  0.842  0.707  0.890  1.0
[/CIF]
.