The crystal structure described by Li5Ti2Cu5O12 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(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 LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-21°. In the second Li site, Li(2) 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 LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-23°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Cu(1)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the third Cu site, Cu(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-23°. In the fourth Cu site, Cu(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-21°. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), and one Cu(4) atom to form distorted OLi3TiCu square pyramids that share corners with two equivalent O(4)Li2TiCu3 octahedra, corners with two equivalent O(6)Li2TiCu3 octahedra, corners with two equivalent O(1)Li3TiCu2 octahedra, corners with two equivalent O(3)Li3TiCu2 octahedra,  a cornercorner with one O(5)Li3TiCu square pyramid, edges with three equivalent O(1)Li3TiCu2 octahedra, edges with three equivalent O(3)Li3TiCu2 octahedra,  an edgeedge with one O(2)Li2TiCu2 square pyramid, and  an edgeedge with one O(5)Li3TiCu square pyramid. The corner-sharing octahedral tilt angles range from 9-82°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Ti(2), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted OLi2TiCu3 octahedra that share  a cornercorner with one O(4)Li2TiCu3 octahedra,  a cornercorner with one O(6)Li2TiCu3 octahedra,  a cornercorner with one O(1)Li3TiCu2 octahedra,  a cornercorner with one O(3)Li3TiCu2 octahedra, corners with two equivalent O(2)Li2TiCu2 square pyramids, corners with two equivalent O(5)Li3TiCu square pyramids,  an edgeedge with one O(6)Li2TiCu3 octahedra,  an edgeedge with one O(1)Li3TiCu2 octahedra,  an edgeedge with one O(3)Li3TiCu2 octahedra, edges with four equivalent O(4)Li2TiCu3 octahedra, and edges with three equivalent O(2)Li2TiCu2 square pyramids. The corner-sharing octahedral tilt angles range from 2-3°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Cu(2), and one Cu(4) atom to form distorted OLi3TiCu2 octahedra that share  a cornercorner with one O(4)Li2TiCu3 octahedra,  a cornercorner with one O(6)Li2TiCu3 octahedra,  a cornercorner with one O(1)Li3TiCu2 octahedra,  a cornercorner with one O(3)Li3TiCu2 octahedra, corners with two equivalent O(2)Li2TiCu2 square pyramids, corners with two equivalent O(5)Li3TiCu square pyramids,  an edgeedge with one O(4)Li2TiCu3 octahedra,  an edgeedge with one O(6)Li2TiCu3 octahedra,  an edgeedge with one O(1)Li3TiCu2 octahedra, edges with four equivalent O(3)Li3TiCu2 octahedra, and edges with three equivalent O(5)Li3TiCu square pyramids. The corner-sharing octahedral tilt angles range from 3-7°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Ti(2), one Cu(1), and one Cu(3) atom to form distorted OLi2TiCu2 square pyramids that share corners with two equivalent O(4)Li2TiCu3 octahedra, corners with two equivalent O(6)Li2TiCu3 octahedra, corners with two equivalent O(1)Li3TiCu2 octahedra, corners with two equivalent O(3)Li3TiCu2 octahedra,  a cornercorner with one O(2)Li2TiCu2 square pyramid, edges with three equivalent O(4)Li2TiCu3 octahedra, edges with three equivalent O(6)Li2TiCu3 octahedra,  an edgeedge with one O(2)Li2TiCu2 square pyramid, and  an edgeedge with one O(5)Li3TiCu square pyramid. The corner-sharing octahedral tilt angles range from 13-81°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Cu(2), and one Cu(4) atom to form OLi3TiCu2 octahedra that share  a cornercorner with one O(4)Li2TiCu3 octahedra,  a cornercorner with one O(6)Li2TiCu3 octahedra,  a cornercorner with one O(1)Li3TiCu2 octahedra,  a cornercorner with one O(3)Li3TiCu2 octahedra, corners with two equivalent O(2)Li2TiCu2 square pyramids, corners with two equivalent O(5)Li3TiCu square pyramids,  an edgeedge with one O(4)Li2TiCu3 octahedra,  an edgeedge with one O(6)Li2TiCu3 octahedra,  an edgeedge with one O(3)Li3TiCu2 octahedra, edges with four equivalent O(1)Li3TiCu2 octahedra, and edges with three equivalent O(5)Li3TiCu square pyramids. The corner-sharing octahedral tilt angles range from 2-7°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one Ti(2), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted OLi2TiCu3 octahedra that share  a cornercorner with one O(4)Li2TiCu3 octahedra,  a cornercorner with one O(6)Li2TiCu3 octahedra,  a cornercorner with one O(1)Li3TiCu2 octahedra,  a cornercorner with one O(3)Li3TiCu2 octahedra, corners with two equivalent O(2)Li2TiCu2 square pyramids, corners with two equivalent O(5)Li3TiCu square pyramids,  an edgeedge with one O(4)Li2TiCu3 octahedra,  an edgeedge with one O(1)Li3TiCu2 octahedra,  an edgeedge with one O(3)Li3TiCu2 octahedra, edges with four equivalent O(6)Li2TiCu3 octahedra, and edges with three equivalent O(2)Li2TiCu2 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Ti2Cu5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.069
_cell_length_b   5.069
_cell_length_c   9.720
_cell_angle_alpha   89.512
_cell_angle_beta   89.512
_cell_angle_gamma   113.564
_symmetry_Int_Tables_number   1
_cell_volume   228.861
_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  0.841  0.678  0.253  1.0
  Li  Li1  1  0.681  0.851  0.742  1.0
  Li  Li2  1  0.322  0.159  0.747  1.0
  Li  Li3  1  0.149  0.319  0.258  1.0
  Li  Li4  1  0.087  0.913  0.500  1.0
  Ti  Ti5  1  0.755  0.245  0.500  1.0
  Ti  Ti6  1  0.254  0.746  0.000  1.0
  Cu  Cu7  1  0.922  0.078  0.000  1.0
  Cu  Cu8  1  0.001  0.512  0.748  1.0
  Cu  Cu9  1  0.488  0.999  0.252  1.0
  Cu  Cu10  1  0.583  0.417  0.000  1.0
  Cu  Cu11  1  0.415  0.585  0.500  1.0
  O  O12  1  0.011  0.205  0.634  1.0
  O  O13  1  0.795  0.989  0.366  1.0
  O  O14  1  0.921  0.417  0.098  1.0
  O  O15  1  0.583  0.079  0.902  1.0
  O  O16  1  0.691  0.528  0.621  1.0
  O  O17  1  0.472  0.309  0.379  1.0
  O  O18  1  0.522  0.692  0.127  1.0
  O  O19  1  0.308  0.478  0.873  1.0
  O  O20  1  0.427  0.914  0.599  1.0
  O  O21  1  0.086  0.573  0.401  1.0
  O  O22  1  0.191  0.006  0.131  1.0
  O  O23  1  0.994  0.809  0.869  1.0
[/CIF]
.
The crystal structure described by Li5Ti2Cu5O12 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(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 LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-21°. In the second Li site, Li(2) 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 LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-23°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Cu(1)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the third Cu site, Cu(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-23°. In the fourth Cu site, Cu(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-21°. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), and one Cu(4) atom to form distorted OLi3TiCu square pyramids that share corners with two equivalent O(4)Li2TiCu3 octahedra, corners with two equivalent O(6)Li2TiCu3 octahedra, corners with two equivalent O(1)Li3TiCu2 octahedra, corners with two equivalent O(3)Li3TiCu2 octahedra,  a cornercorner with one O(5)Li3TiCu square pyramid, edges with three equivalent O(1)Li3TiCu2 octahedra, edges with three equivalent O(3)Li3TiCu2 octahedra,  an edgeedge with one O(2)Li2TiCu2 square pyramid, and  an edgeedge with one O(5)Li3TiCu square pyramid. The corner-sharing octahedral tilt angles range from 9-82°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Ti(2), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted OLi2TiCu3 octahedra that share  a cornercorner with one O(4)Li2TiCu3 octahedra,  a cornercorner with one O(6)Li2TiCu3 octahedra,  a cornercorner with one O(1)Li3TiCu2 octahedra,  a cornercorner with one O(3)Li3TiCu2 octahedra, corners with two equivalent O(2)Li2TiCu2 square pyramids, corners with two equivalent O(5)Li3TiCu square pyramids,  an edgeedge with one O(6)Li2TiCu3 octahedra,  an edgeedge with one O(1)Li3TiCu2 octahedra,  an edgeedge with one O(3)Li3TiCu2 octahedra, edges with four equivalent O(4)Li2TiCu3 octahedra, and edges with three equivalent O(2)Li2TiCu2 square pyramids. The corner-sharing octahedral tilt angles range from 2-3°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Cu(2), and one Cu(4) atom to form distorted OLi3TiCu2 octahedra that share  a cornercorner with one O(4)Li2TiCu3 octahedra,  a cornercorner with one O(6)Li2TiCu3 octahedra,  a cornercorner with one O(1)Li3TiCu2 octahedra,  a cornercorner with one O(3)Li3TiCu2 octahedra, corners with two equivalent O(2)Li2TiCu2 square pyramids, corners with two equivalent O(5)Li3TiCu square pyramids,  an edgeedge with one O(4)Li2TiCu3 octahedra,  an edgeedge with one O(6)Li2TiCu3 octahedra,  an edgeedge with one O(1)Li3TiCu2 octahedra, edges with four equivalent O(3)Li3TiCu2 octahedra, and edges with three equivalent O(5)Li3TiCu square pyramids. The corner-sharing octahedral tilt angles range from 3-7°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Ti(2), one Cu(1), and one Cu(3) atom to form distorted OLi2TiCu2 square pyramids that share corners with two equivalent O(4)Li2TiCu3 octahedra, corners with two equivalent O(6)Li2TiCu3 octahedra, corners with two equivalent O(1)Li3TiCu2 octahedra, corners with two equivalent O(3)Li3TiCu2 octahedra,  a cornercorner with one O(2)Li2TiCu2 square pyramid, edges with three equivalent O(4)Li2TiCu3 octahedra, edges with three equivalent O(6)Li2TiCu3 octahedra,  an edgeedge with one O(2)Li2TiCu2 square pyramid, and  an edgeedge with one O(5)Li3TiCu square pyramid. The corner-sharing octahedral tilt angles range from 13-81°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Cu(2), and one Cu(4) atom to form OLi3TiCu2 octahedra that share  a cornercorner with one O(4)Li2TiCu3 octahedra,  a cornercorner with one O(6)Li2TiCu3 octahedra,  a cornercorner with one O(1)Li3TiCu2 octahedra,  a cornercorner with one O(3)Li3TiCu2 octahedra, corners with two equivalent O(2)Li2TiCu2 square pyramids, corners with two equivalent O(5)Li3TiCu square pyramids,  an edgeedge with one O(4)Li2TiCu3 octahedra,  an edgeedge with one O(6)Li2TiCu3 octahedra,  an edgeedge with one O(3)Li3TiCu2 octahedra, edges with four equivalent O(1)Li3TiCu2 octahedra, and edges with three equivalent O(5)Li3TiCu square pyramids. The corner-sharing octahedral tilt angles range from 2-7°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one Ti(2), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted OLi2TiCu3 octahedra that share  a cornercorner with one O(4)Li2TiCu3 octahedra,  a cornercorner with one O(6)Li2TiCu3 octahedra,  a cornercorner with one O(1)Li3TiCu2 octahedra,  a cornercorner with one O(3)Li3TiCu2 octahedra, corners with two equivalent O(2)Li2TiCu2 square pyramids, corners with two equivalent O(5)Li3TiCu square pyramids,  an edgeedge with one O(4)Li2TiCu3 octahedra,  an edgeedge with one O(1)Li3TiCu2 octahedra,  an edgeedge with one O(3)Li3TiCu2 octahedra, edges with four equivalent O(6)Li2TiCu3 octahedra, and edges with three equivalent O(2)Li2TiCu2 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Ti2Cu5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.069
_cell_length_b   5.069
_cell_length_c   9.720
_cell_angle_alpha   89.512
_cell_angle_beta   89.512
_cell_angle_gamma   113.564
_symmetry_Int_Tables_number   1
_cell_volume   228.861
_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  0.841  0.678  0.253  1.0
  Li  Li1  1  0.681  0.851  0.742  1.0
  Li  Li2  1  0.322  0.159  0.747  1.0
  Li  Li3  1  0.149  0.319  0.258  1.0
  Li  Li4  1  0.087  0.913  0.500  1.0
  Ti  Ti5  1  0.755  0.245  0.500  1.0
  Ti  Ti6  1  0.254  0.746  0.000  1.0
  Cu  Cu7  1  0.922  0.078  0.000  1.0
  Cu  Cu8  1  0.001  0.512  0.748  1.0
  Cu  Cu9  1  0.488  0.999  0.252  1.0
  Cu  Cu10  1  0.583  0.417  0.000  1.0
  Cu  Cu11  1  0.415  0.585  0.500  1.0
  O  O12  1  0.011  0.205  0.634  1.0
  O  O13  1  0.795  0.989  0.366  1.0
  O  O14  1  0.921  0.417  0.098  1.0
  O  O15  1  0.583  0.079  0.902  1.0
  O  O16  1  0.691  0.528  0.621  1.0
  O  O17  1  0.472  0.309  0.379  1.0
  O  O18  1  0.522  0.692  0.127  1.0
  O  O19  1  0.308  0.478  0.873  1.0
  O  O20  1  0.427  0.914  0.599  1.0
  O  O21  1  0.086  0.573  0.401  1.0
  O  O22  1  0.191  0.006  0.131  1.0
  O  O23  1  0.994  0.809  0.869  1.0
[/CIF]
.