The material structure described by Li5Cu5(NiO6)2 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 Ni(1)O6 octahedra,  a cornercorner with one Ni(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 Ni(1)O6 octahedra,  an edgeedge with one Ni(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 3-22°. 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 Ni(1)O6 octahedra,  a cornercorner with one Ni(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 Ni(1)O6 octahedra,  an edgeedge with one Ni(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 5-23°. 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 Ni(1)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-20°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 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 7-11°. In the second Ni site, Ni(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 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 8°. 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 Ni(2)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-22°. In the second Cu site, Cu(2) is bonded in a distorted square co-planar 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 Ni(2)O6 octahedra, and edges with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-23°. 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 Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-20°. 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 Ni(1), and one Cu(4) atom to form distorted OLi3CuNi square pyramids that share corners with two equivalent O(4)Li2Cu3Ni octahedra, corners with two equivalent O(6)Li2Cu3Ni octahedra, corners with two equivalent O(1)Li3Cu2Ni octahedra, corners with two equivalent O(3)Li3Cu2Ni octahedra,  a cornercorner with one O(5)Li3CuNi square pyramid, edges with three equivalent O(1)Li3Cu2Ni octahedra, edges with three equivalent O(3)Li3Cu2Ni octahedra,  an edgeedge with one O(2)Li2Cu2Ni square pyramid, and  an edgeedge with one O(5)Li3CuNi square pyramid. The corner-sharing octahedral tilt angles range from 12-81°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Ni(2), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted OLi2Cu3Ni octahedra that share  a cornercorner with one O(4)Li2Cu3Ni octahedra,  a cornercorner with one O(6)Li2Cu3Ni octahedra,  a cornercorner with one O(1)Li3Cu2Ni octahedra,  a cornercorner with one O(3)Li3Cu2Ni octahedra, corners with two equivalent O(2)Li2Cu2Ni square pyramids, corners with two equivalent O(5)Li3CuNi square pyramids,  an edgeedge with one O(6)Li2Cu3Ni octahedra,  an edgeedge with one O(1)Li3Cu2Ni octahedra,  an edgeedge with one O(3)Li3Cu2Ni octahedra, edges with four equivalent O(4)Li2Cu3Ni octahedra, and edges with three equivalent O(2)Li2Cu2Ni square pyramids. The corner-sharing octahedral tilt angles range from 1-6°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Cu(2), and one Cu(4) atom to form distorted OLi3Cu2Ni octahedra that share  a cornercorner with one O(4)Li2Cu3Ni octahedra,  a cornercorner with one O(6)Li2Cu3Ni octahedra,  a cornercorner with one O(1)Li3Cu2Ni octahedra,  a cornercorner with one O(3)Li3Cu2Ni octahedra, corners with two equivalent O(2)Li2Cu2Ni square pyramids, corners with two equivalent O(5)Li3CuNi square pyramids,  an edgeedge with one O(4)Li2Cu3Ni octahedra,  an edgeedge with one O(6)Li2Cu3Ni octahedra,  an edgeedge with one O(1)Li3Cu2Ni octahedra, edges with four equivalent O(3)Li3Cu2Ni octahedra, and edges with three equivalent O(5)Li3CuNi square pyramids. The corner-sharing octahedral tilt angles range from 2-7°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Ni(2), one Cu(1), and one Cu(3) atom to form distorted OLi2Cu2Ni square pyramids that share corners with two equivalent O(4)Li2Cu3Ni octahedra, corners with two equivalent O(6)Li2Cu3Ni octahedra, corners with two equivalent O(1)Li3Cu2Ni octahedra, corners with two equivalent O(3)Li3Cu2Ni octahedra,  a cornercorner with one O(2)Li2Cu2Ni square pyramid, edges with three equivalent O(4)Li2Cu3Ni octahedra, edges with three equivalent O(6)Li2Cu3Ni octahedra,  an edgeedge with one O(2)Li2Cu2Ni square pyramid, and  an edgeedge with one O(5)Li3CuNi square pyramid. The corner-sharing octahedral tilt angles range from 15-81°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Cu(2), and one Cu(4) atom to form OLi3Cu2Ni octahedra that share  a cornercorner with one O(4)Li2Cu3Ni octahedra,  a cornercorner with one O(6)Li2Cu3Ni octahedra,  a cornercorner with one O(1)Li3Cu2Ni octahedra,  a cornercorner with one O(3)Li3Cu2Ni octahedra, corners with two equivalent O(2)Li2Cu2Ni square pyramids, corners with two equivalent O(5)Li3CuNi square pyramids,  an edgeedge with one O(4)Li2Cu3Ni octahedra,  an edgeedge with one O(6)Li2Cu3Ni octahedra,  an edgeedge with one O(3)Li3Cu2Ni octahedra, edges with four equivalent O(1)Li3Cu2Ni octahedra, and edges with three equivalent O(5)Li3CuNi square pyramids. The corner-sharing octahedral tilt angles range from 1-4°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(2), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted OLi2Cu3Ni octahedra that share  a cornercorner with one O(4)Li2Cu3Ni octahedra,  a cornercorner with one O(6)Li2Cu3Ni octahedra,  a cornercorner with one O(1)Li3Cu2Ni octahedra,  a cornercorner with one O(3)Li3Cu2Ni octahedra, corners with two equivalent O(2)Li2Cu2Ni square pyramids, corners with two equivalent O(5)Li3CuNi square pyramids,  an edgeedge with one O(4)Li2Cu3Ni octahedra,  an edgeedge with one O(1)Li3Cu2Ni octahedra,  an edgeedge with one O(3)Li3Cu2Ni octahedra, edges with four equivalent O(6)Li2Cu3Ni octahedra, and edges with three equivalent O(2)Li2Cu2Ni square pyramids. The corner-sharing octahedral tilt angles range from 1-5°. is represented by the CIF file [CIF]
data_Li5Cu5(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.007
_cell_length_b   5.007
_cell_length_c   9.496
_cell_angle_alpha   88.174
_cell_angle_beta   88.174
_cell_angle_gamma   114.686
_symmetry_Int_Tables_number   1
_cell_volume   215.951
_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  0.665  0.258  1.0
  Li  Li1  1  0.668  0.848  0.744  1.0
  Li  Li2  1  0.335  0.159  0.742  1.0
  Li  Li3  1  0.152  0.332  0.256  1.0
  Li  Li4  1  0.082  0.918  0.500  1.0
  Cu  Cu5  1  0.920  0.080  0.000  1.0
  Cu  Cu6  1  0.003  0.508  0.748  1.0
  Cu  Cu7  1  0.492  0.997  0.252  1.0
  Cu  Cu8  1  0.581  0.419  0.000  1.0
  Cu  Cu9  1  0.417  0.583  0.500  1.0
  Ni  Ni10  1  0.753  0.247  0.500  1.0
  Ni  Ni11  1  0.251  0.749  0.000  1.0
  O  O12  1  0.006  0.206  0.632  1.0
  O  O13  1  0.794  0.994  0.368  1.0
  O  O14  1  0.924  0.422  0.096  1.0
  O  O15  1  0.578  0.076  0.904  1.0
  O  O16  1  0.695  0.512  0.623  1.0
  O  O17  1  0.488  0.305  0.377  1.0
  O  O18  1  0.502  0.687  0.127  1.0
  O  O19  1  0.313  0.498  0.873  1.0
  O  O20  1  0.432  0.920  0.597  1.0
  O  O21  1  0.080  0.568  0.403  1.0
  O  O22  1  0.190  0.997  0.129  1.0
  O  O23  1  0.003  0.810  0.871  1.0
[/CIF]
.
The material structure described by Li5Cu5(NiO6)2 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 Ni(1)O6 octahedra,  a cornercorner with one Ni(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 Ni(1)O6 octahedra,  an edgeedge with one Ni(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 3-22°. 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 Ni(1)O6 octahedra,  a cornercorner with one Ni(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 Ni(1)O6 octahedra,  an edgeedge with one Ni(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 5-23°. 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 Ni(1)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-20°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 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 7-11°. In the second Ni site, Ni(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 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 8°. 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 Ni(2)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-22°. In the second Cu site, Cu(2) is bonded in a distorted square co-planar 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 Ni(2)O6 octahedra, and edges with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-23°. 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 Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-20°. 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 Ni(1), and one Cu(4) atom to form distorted OLi3CuNi square pyramids that share corners with two equivalent O(4)Li2Cu3Ni octahedra, corners with two equivalent O(6)Li2Cu3Ni octahedra, corners with two equivalent O(1)Li3Cu2Ni octahedra, corners with two equivalent O(3)Li3Cu2Ni octahedra,  a cornercorner with one O(5)Li3CuNi square pyramid, edges with three equivalent O(1)Li3Cu2Ni octahedra, edges with three equivalent O(3)Li3Cu2Ni octahedra,  an edgeedge with one O(2)Li2Cu2Ni square pyramid, and  an edgeedge with one O(5)Li3CuNi square pyramid. The corner-sharing octahedral tilt angles range from 12-81°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Ni(2), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted OLi2Cu3Ni octahedra that share  a cornercorner with one O(4)Li2Cu3Ni octahedra,  a cornercorner with one O(6)Li2Cu3Ni octahedra,  a cornercorner with one O(1)Li3Cu2Ni octahedra,  a cornercorner with one O(3)Li3Cu2Ni octahedra, corners with two equivalent O(2)Li2Cu2Ni square pyramids, corners with two equivalent O(5)Li3CuNi square pyramids,  an edgeedge with one O(6)Li2Cu3Ni octahedra,  an edgeedge with one O(1)Li3Cu2Ni octahedra,  an edgeedge with one O(3)Li3Cu2Ni octahedra, edges with four equivalent O(4)Li2Cu3Ni octahedra, and edges with three equivalent O(2)Li2Cu2Ni square pyramids. The corner-sharing octahedral tilt angles range from 1-6°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Cu(2), and one Cu(4) atom to form distorted OLi3Cu2Ni octahedra that share  a cornercorner with one O(4)Li2Cu3Ni octahedra,  a cornercorner with one O(6)Li2Cu3Ni octahedra,  a cornercorner with one O(1)Li3Cu2Ni octahedra,  a cornercorner with one O(3)Li3Cu2Ni octahedra, corners with two equivalent O(2)Li2Cu2Ni square pyramids, corners with two equivalent O(5)Li3CuNi square pyramids,  an edgeedge with one O(4)Li2Cu3Ni octahedra,  an edgeedge with one O(6)Li2Cu3Ni octahedra,  an edgeedge with one O(1)Li3Cu2Ni octahedra, edges with four equivalent O(3)Li3Cu2Ni octahedra, and edges with three equivalent O(5)Li3CuNi square pyramids. The corner-sharing octahedral tilt angles range from 2-7°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Ni(2), one Cu(1), and one Cu(3) atom to form distorted OLi2Cu2Ni square pyramids that share corners with two equivalent O(4)Li2Cu3Ni octahedra, corners with two equivalent O(6)Li2Cu3Ni octahedra, corners with two equivalent O(1)Li3Cu2Ni octahedra, corners with two equivalent O(3)Li3Cu2Ni octahedra,  a cornercorner with one O(2)Li2Cu2Ni square pyramid, edges with three equivalent O(4)Li2Cu3Ni octahedra, edges with three equivalent O(6)Li2Cu3Ni octahedra,  an edgeedge with one O(2)Li2Cu2Ni square pyramid, and  an edgeedge with one O(5)Li3CuNi square pyramid. The corner-sharing octahedral tilt angles range from 15-81°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Cu(2), and one Cu(4) atom to form OLi3Cu2Ni octahedra that share  a cornercorner with one O(4)Li2Cu3Ni octahedra,  a cornercorner with one O(6)Li2Cu3Ni octahedra,  a cornercorner with one O(1)Li3Cu2Ni octahedra,  a cornercorner with one O(3)Li3Cu2Ni octahedra, corners with two equivalent O(2)Li2Cu2Ni square pyramids, corners with two equivalent O(5)Li3CuNi square pyramids,  an edgeedge with one O(4)Li2Cu3Ni octahedra,  an edgeedge with one O(6)Li2Cu3Ni octahedra,  an edgeedge with one O(3)Li3Cu2Ni octahedra, edges with four equivalent O(1)Li3Cu2Ni octahedra, and edges with three equivalent O(5)Li3CuNi square pyramids. The corner-sharing octahedral tilt angles range from 1-4°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(2), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted OLi2Cu3Ni octahedra that share  a cornercorner with one O(4)Li2Cu3Ni octahedra,  a cornercorner with one O(6)Li2Cu3Ni octahedra,  a cornercorner with one O(1)Li3Cu2Ni octahedra,  a cornercorner with one O(3)Li3Cu2Ni octahedra, corners with two equivalent O(2)Li2Cu2Ni square pyramids, corners with two equivalent O(5)Li3CuNi square pyramids,  an edgeedge with one O(4)Li2Cu3Ni octahedra,  an edgeedge with one O(1)Li3Cu2Ni octahedra,  an edgeedge with one O(3)Li3Cu2Ni octahedra, edges with four equivalent O(6)Li2Cu3Ni octahedra, and edges with three equivalent O(2)Li2Cu2Ni square pyramids. The corner-sharing octahedral tilt angles range from 1-5°. is represented by the CIF file [CIF]
data_Li5Cu5(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.007
_cell_length_b   5.007
_cell_length_c   9.496
_cell_angle_alpha   88.174
_cell_angle_beta   88.174
_cell_angle_gamma   114.686
_symmetry_Int_Tables_number   1
_cell_volume   215.951
_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  0.665  0.258  1.0
  Li  Li1  1  0.668  0.848  0.744  1.0
  Li  Li2  1  0.335  0.159  0.742  1.0
  Li  Li3  1  0.152  0.332  0.256  1.0
  Li  Li4  1  0.082  0.918  0.500  1.0
  Cu  Cu5  1  0.920  0.080  0.000  1.0
  Cu  Cu6  1  0.003  0.508  0.748  1.0
  Cu  Cu7  1  0.492  0.997  0.252  1.0
  Cu  Cu8  1  0.581  0.419  0.000  1.0
  Cu  Cu9  1  0.417  0.583  0.500  1.0
  Ni  Ni10  1  0.753  0.247  0.500  1.0
  Ni  Ni11  1  0.251  0.749  0.000  1.0
  O  O12  1  0.006  0.206  0.632  1.0
  O  O13  1  0.794  0.994  0.368  1.0
  O  O14  1  0.924  0.422  0.096  1.0
  O  O15  1  0.578  0.076  0.904  1.0
  O  O16  1  0.695  0.512  0.623  1.0
  O  O17  1  0.488  0.305  0.377  1.0
  O  O18  1  0.502  0.687  0.127  1.0
  O  O19  1  0.313  0.498  0.873  1.0
  O  O20  1  0.432  0.920  0.597  1.0
  O  O21  1  0.080  0.568  0.403  1.0
  O  O22  1  0.190  0.997  0.129  1.0
  O  O23  1  0.003  0.810  0.871  1.0
[/CIF]
.