The material described by Li3MgNi3O8 crystallizes in the triclinic P1 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(7), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. 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 corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are three inequivalent Ni sites. In the first Ni site, Ni(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 NiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the second Ni site, Ni(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Mg(1), one Ni(1), and one Ni(3) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(2)Li3MgNi2 octahedra, corners with four equivalent O(5)Li2Ni3 square pyramids, edges with two equivalent O(2)Li3MgNi2 octahedra, edges with two equivalent O(3)Li2MgNi2 square pyramids, edges with two equivalent O(4)Li2MgNi2 square pyramids, edges with two equivalent O(7)Li2MgNi2 square pyramids, edges with two equivalent O(8)Li2MgNi2 square pyramids, and edges with two equivalent O(6)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 2-6°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Mg(1), one Ni(1), and one Ni(3) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(1)Li3MgNi2 octahedra, corners with four equivalent O(6)Li2Ni3 square pyramids, edges with two equivalent O(1)Li3MgNi2 octahedra, edges with two equivalent O(3)Li2MgNi2 square pyramids, edges with two equivalent O(4)Li2MgNi2 square pyramids, edges with two equivalent O(7)Li2MgNi2 square pyramids, edges with two equivalent O(8)Li2MgNi2 square pyramids, and edges with two equivalent O(5)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 2-6°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mg(1), one Ni(1), and one Ni(2) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(7)Li2MgNi2 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with three equivalent O(4)Li2MgNi2 square pyramids, corners with three equivalent O(8)Li2MgNi2 square pyramids, edges with two equivalent O(1)Li3MgNi2 octahedra, edges with two equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(4)Li2MgNi2 square pyramid,  an edgeedge with one O(7)Li2MgNi2 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(6)Li2Ni3 square pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Mg(1), one Ni(1), and one Ni(2) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(8)Li2MgNi2 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with three equivalent O(3)Li2MgNi2 square pyramids, corners with three equivalent O(7)Li2MgNi2 square pyramids, edges with two equivalent O(1)Li3MgNi2 octahedra, edges with two equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(3)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(6)Li2Ni3 square pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share corners with four equivalent O(1)Li3MgNi2 octahedra,  a cornercorner with one O(3)Li2MgNi2 square pyramid,  a cornercorner with one O(4)Li2MgNi2 square pyramid,  a cornercorner with one O(7)Li2MgNi2 square pyramid,  a cornercorner with one O(8)Li2MgNi2 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, edges with two equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(3)Li2MgNi2 square pyramid,  an edgeedge with one O(4)Li2MgNi2 square pyramid,  an edgeedge with one O(7)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid, and edges with two equivalent O(6)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 5-7°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share corners with four equivalent O(2)Li3MgNi2 octahedra,  a cornercorner with one O(3)Li2MgNi2 square pyramid,  a cornercorner with one O(4)Li2MgNi2 square pyramid,  a cornercorner with one O(7)Li2MgNi2 square pyramid,  a cornercorner with one O(8)Li2MgNi2 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid, edges with two equivalent O(1)Li3MgNi2 octahedra,  an edgeedge with one O(3)Li2MgNi2 square pyramid,  an edgeedge with one O(4)Li2MgNi2 square pyramid,  an edgeedge with one O(7)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid, and edges with two equivalent O(5)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 5-9°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Mg(1), one Ni(2), and one Ni(3) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(3)Li2MgNi2 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with three equivalent O(4)Li2MgNi2 square pyramids, corners with three equivalent O(8)Li2MgNi2 square pyramids, edges with two equivalent O(1)Li3MgNi2 octahedra, edges with two equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(3)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(6)Li2Ni3 square pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Mg(1), one Ni(2), and one Ni(3) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(4)Li2MgNi2 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with three equivalent O(3)Li2MgNi2 square pyramids, corners with three equivalent O(7)Li2MgNi2 square pyramids, edges with two equivalent O(1)Li3MgNi2 octahedra, edges with two equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(4)Li2MgNi2 square pyramid,  an edgeedge with one O(7)Li2MgNi2 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(6)Li2Ni3 square pyramid. is represented by the CIF card [CIF]
data_Li3MgNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.849
_cell_length_b   5.005
_cell_length_c   5.721
_cell_angle_alpha   91.011
_cell_angle_beta   90.775
_cell_angle_gamma   107.679
_symmetry_Int_Tables_number   1
_cell_volume   132.253
_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  0.007  0.500  0.733  1.0
  Li  Li1  1  0.496  0.494  0.491  1.0
  Li  Li2  1  0.494  0.492  0.028  1.0
  Mg  Mg3  1  0.503  1.000  0.750  1.0
  Ni  Ni4  1  0.002  0.998  0.496  1.0
  Ni  Ni5  1  0.500  0.993  0.252  1.0
  Ni  Ni6  1  0.003  0.995  0.001  1.0
  O  O7  1  0.794  0.779  0.738  1.0
  O  O8  1  0.230  0.236  0.729  1.0
  O  O9  1  0.742  0.208  0.491  1.0
  O  O10  1  0.258  0.785  0.484  1.0
  O  O11  1  0.237  0.201  0.254  1.0
  O  O12  1  0.745  0.776  0.264  1.0
  O  O13  1  0.739  0.203  0.020  1.0
  O  O14  1  0.264  0.783  0.006  1.0
[/CIF]
.
The material described by Li3MgNi3O8 crystallizes in the triclinic P1 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(7), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. 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 corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are three inequivalent Ni sites. In the first Ni site, Ni(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 NiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the second Ni site, Ni(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Mg(1), one Ni(1), and one Ni(3) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(2)Li3MgNi2 octahedra, corners with four equivalent O(5)Li2Ni3 square pyramids, edges with two equivalent O(2)Li3MgNi2 octahedra, edges with two equivalent O(3)Li2MgNi2 square pyramids, edges with two equivalent O(4)Li2MgNi2 square pyramids, edges with two equivalent O(7)Li2MgNi2 square pyramids, edges with two equivalent O(8)Li2MgNi2 square pyramids, and edges with two equivalent O(6)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 2-6°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Mg(1), one Ni(1), and one Ni(3) atom to form OLi3MgNi2 octahedra that share corners with two equivalent O(1)Li3MgNi2 octahedra, corners with four equivalent O(6)Li2Ni3 square pyramids, edges with two equivalent O(1)Li3MgNi2 octahedra, edges with two equivalent O(3)Li2MgNi2 square pyramids, edges with two equivalent O(4)Li2MgNi2 square pyramids, edges with two equivalent O(7)Li2MgNi2 square pyramids, edges with two equivalent O(8)Li2MgNi2 square pyramids, and edges with two equivalent O(5)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 2-6°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mg(1), one Ni(1), and one Ni(2) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(7)Li2MgNi2 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with three equivalent O(4)Li2MgNi2 square pyramids, corners with three equivalent O(8)Li2MgNi2 square pyramids, edges with two equivalent O(1)Li3MgNi2 octahedra, edges with two equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(4)Li2MgNi2 square pyramid,  an edgeedge with one O(7)Li2MgNi2 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(6)Li2Ni3 square pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Mg(1), one Ni(1), and one Ni(2) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(8)Li2MgNi2 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with three equivalent O(3)Li2MgNi2 square pyramids, corners with three equivalent O(7)Li2MgNi2 square pyramids, edges with two equivalent O(1)Li3MgNi2 octahedra, edges with two equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(3)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(6)Li2Ni3 square pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share corners with four equivalent O(1)Li3MgNi2 octahedra,  a cornercorner with one O(3)Li2MgNi2 square pyramid,  a cornercorner with one O(4)Li2MgNi2 square pyramid,  a cornercorner with one O(7)Li2MgNi2 square pyramid,  a cornercorner with one O(8)Li2MgNi2 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, edges with two equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(3)Li2MgNi2 square pyramid,  an edgeedge with one O(4)Li2MgNi2 square pyramid,  an edgeedge with one O(7)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid, and edges with two equivalent O(6)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 5-7°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi2Ni3 square pyramids that share corners with four equivalent O(2)Li3MgNi2 octahedra,  a cornercorner with one O(3)Li2MgNi2 square pyramid,  a cornercorner with one O(4)Li2MgNi2 square pyramid,  a cornercorner with one O(7)Li2MgNi2 square pyramid,  a cornercorner with one O(8)Li2MgNi2 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid, edges with two equivalent O(1)Li3MgNi2 octahedra,  an edgeedge with one O(3)Li2MgNi2 square pyramid,  an edgeedge with one O(4)Li2MgNi2 square pyramid,  an edgeedge with one O(7)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid, and edges with two equivalent O(5)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 5-9°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Mg(1), one Ni(2), and one Ni(3) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(3)Li2MgNi2 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with three equivalent O(4)Li2MgNi2 square pyramids, corners with three equivalent O(8)Li2MgNi2 square pyramids, edges with two equivalent O(1)Li3MgNi2 octahedra, edges with two equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(3)Li2MgNi2 square pyramid,  an edgeedge with one O(8)Li2MgNi2 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(6)Li2Ni3 square pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Mg(1), one Ni(2), and one Ni(3) atom to form OLi2MgNi2 square pyramids that share  a cornercorner with one O(4)Li2MgNi2 square pyramid,  a cornercorner with one O(5)Li2Ni3 square pyramid,  a cornercorner with one O(6)Li2Ni3 square pyramid, corners with three equivalent O(3)Li2MgNi2 square pyramids, corners with three equivalent O(7)Li2MgNi2 square pyramids, edges with two equivalent O(1)Li3MgNi2 octahedra, edges with two equivalent O(2)Li3MgNi2 octahedra,  an edgeedge with one O(4)Li2MgNi2 square pyramid,  an edgeedge with one O(7)Li2MgNi2 square pyramid,  an edgeedge with one O(5)Li2Ni3 square pyramid, and  an edgeedge with one O(6)Li2Ni3 square pyramid. is represented by the CIF card [CIF]
data_Li3MgNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.849
_cell_length_b   5.005
_cell_length_c   5.721
_cell_angle_alpha   91.011
_cell_angle_beta   90.775
_cell_angle_gamma   107.679
_symmetry_Int_Tables_number   1
_cell_volume   132.253
_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  0.007  0.500  0.733  1.0
  Li  Li1  1  0.496  0.494  0.491  1.0
  Li  Li2  1  0.494  0.492  0.028  1.0
  Mg  Mg3  1  0.503  1.000  0.750  1.0
  Ni  Ni4  1  0.002  0.998  0.496  1.0
  Ni  Ni5  1  0.500  0.993  0.252  1.0
  Ni  Ni6  1  0.003  0.995  0.001  1.0
  O  O7  1  0.794  0.779  0.738  1.0
  O  O8  1  0.230  0.236  0.729  1.0
  O  O9  1  0.742  0.208  0.491  1.0
  O  O10  1  0.258  0.785  0.484  1.0
  O  O11  1  0.237  0.201  0.254  1.0
  O  O12  1  0.745  0.776  0.264  1.0
  O  O13  1  0.739  0.203  0.020  1.0
  O  O14  1  0.264  0.783  0.006  1.0
[/CIF]
.