The material described by Li4Ti3Fe5O16 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Li site, Li(2) is bonded in a distorted 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 distorted 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 Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. 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 Fe(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. 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 Fe(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. 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 TiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are five inequivalent Fe sites. In the first Fe site, Fe(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 FeO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(5)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 Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Fe site, Fe(2) 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 FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(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 52-53°. In the third Fe site, Fe(3) 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 FeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the fourth Fe site, Fe(4) 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 FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fifth Fe site, Fe(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 FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. 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 Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), one Ti(2), and one Fe(1) atom to form distorted OLiTi2Fe tetrahedra that share  a cornercorner with one O(7)LiTiFe2 tetrahedra,  a cornercorner with one O(8)LiTiFe2 tetrahedra, corners with two equivalent O(4)LiTi2Fe tetrahedra,  an edgeedge with one O(7)LiTiFe2 tetrahedra, and  an edgeedge with one O(8)LiTiFe2 tetrahedra. 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 Fe(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Ti(1), one Ti(2), and one Fe(2) atom to form distorted OLiTi2Fe tetrahedra that share corners with two equivalent O(2)LiTi2Fe tetrahedra, corners with two equivalent O(7)LiTiFe2 tetrahedra, and corners with two equivalent O(8)LiTiFe2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Ti(3), one Fe(4), and one Fe(5) atom to form distorted OLiTiFe2 tetrahedra that share corners with two equivalent O(15)LiFe3 tetrahedra, corners with two equivalent O(11)LiTiFe2 tetrahedra, and corners with two equivalent O(12)LiTiFe2 tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one Fe(1), and one Fe(5) atom. In the seventh O site, O(7) is bonded to one Li(4), one Ti(1), one Fe(1), and one Fe(2) atom to form distorted OLiTiFe2 tetrahedra that share  a cornercorner with one O(2)LiTi2Fe tetrahedra,  a cornercorner with one O(8)LiTiFe2 tetrahedra, corners with two equivalent O(4)LiTi2Fe tetrahedra,  an edgeedge with one O(2)LiTi2Fe tetrahedra, and  an edgeedge with one O(8)LiTiFe2 tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Ti(2), one Fe(1), and one Fe(2) atom to form distorted OLiTiFe2 tetrahedra that share  a cornercorner with one O(2)LiTi2Fe tetrahedra,  a cornercorner with one O(7)LiTiFe2 tetrahedra, corners with two equivalent O(4)LiTi2Fe tetrahedra,  an edgeedge with one O(2)LiTi2Fe tetrahedra, and  an edgeedge with one O(7)LiTiFe2 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 Fe(3) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(1), one Fe(4), and one Fe(5) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Ti(3), one Fe(3), and one Fe(4) atom to form distorted OLiTiFe2 tetrahedra that share  a cornercorner with one O(15)LiFe3 tetrahedra,  a cornercorner with one O(12)LiTiFe2 tetrahedra, corners with two equivalent O(5)LiTiFe2 tetrahedra,  an edgeedge with one O(15)LiFe3 tetrahedra, and  an edgeedge with one O(12)LiTiFe2 tetrahedra. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(3), one Fe(3), and one Fe(5) atom to form distorted OLiTiFe2 tetrahedra that share  a cornercorner with one O(15)LiFe3 tetrahedra,  a cornercorner with one O(11)LiTiFe2 tetrahedra, corners with two equivalent O(5)LiTiFe2 tetrahedra,  an edgeedge with one O(15)LiFe3 tetrahedra, and  an edgeedge with one O(11)LiTiFe2 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 Fe(4), and one Fe(5) 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 Fe(2), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Fe(3), one Fe(4), and one Fe(5) atom to form a mixture of distorted corner and edge-sharing OLiFe3 tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Fe(2), and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ti3Fe5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.945
_cell_length_b   5.947
_cell_length_c   9.626
_cell_angle_alpha   89.527
_cell_angle_beta   89.479
_cell_angle_gamma   60.097
_symmetry_Int_Tables_number   1
_cell_volume   295.018
_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  0.336  0.328  0.108  1.0
  Li  Li1  1  0.992  0.004  0.004  1.0
  Li  Li2  1  0.996  0.003  0.503  1.0
  Li  Li3  1  0.667  0.666  0.605  1.0
  Ti  Ti4  1  0.171  0.168  0.786  1.0
  Ti  Ti5  1  0.173  0.660  0.784  1.0
  Ti  Ti6  1  0.341  0.829  0.284  1.0
  Fe  Fe7  1  0.335  0.336  0.509  1.0
  Fe  Fe8  1  0.661  0.168  0.787  1.0
  Fe  Fe9  1  0.672  0.663  0.010  1.0
  Fe  Fe10  1  0.832  0.339  0.286  1.0
  Fe  Fe11  1  0.831  0.830  0.286  1.0
  O  O12  1  0.167  0.163  0.399  1.0
  O  O13  1  0.038  0.483  0.665  1.0
  O  O14  1  0.320  0.338  0.897  1.0
  O  O15  1  0.007  0.997  0.689  1.0
  O  O16  1  0.008  0.996  0.190  1.0
  O  O17  1  0.170  0.673  0.400  1.0
  O  O18  1  0.473  0.041  0.662  1.0
  O  O19  1  0.473  0.488  0.663  1.0
  O  O20  1  0.327  0.835  0.897  1.0
  O  O21  1  0.674  0.171  0.399  1.0
  O  O22  1  0.518  0.519  0.163  1.0
  O  O23  1  0.515  0.958  0.160  1.0
  O  O24  1  0.656  0.674  0.398  1.0
  O  O25  1  0.843  0.326  0.897  1.0
  O  O26  1  0.963  0.511  0.163  1.0
  O  O27  1  0.843  0.830  0.900  1.0
[/CIF]
.
The material described by Li4Ti3Fe5O16 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 Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Li site, Li(2) is bonded in a distorted 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 distorted 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 Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. 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 Fe(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. 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 Fe(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. 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 TiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are five inequivalent Fe sites. In the first Fe site, Fe(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 FeO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Fe(5)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 Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Fe site, Fe(2) 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 FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(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 52-53°. In the third Fe site, Fe(3) 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 FeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the fourth Fe site, Fe(4) 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 FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fifth Fe site, Fe(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 FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. 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 Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), one Ti(2), and one Fe(1) atom to form distorted OLiTi2Fe tetrahedra that share  a cornercorner with one O(7)LiTiFe2 tetrahedra,  a cornercorner with one O(8)LiTiFe2 tetrahedra, corners with two equivalent O(4)LiTi2Fe tetrahedra,  an edgeedge with one O(7)LiTiFe2 tetrahedra, and  an edgeedge with one O(8)LiTiFe2 tetrahedra. 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 Fe(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Ti(1), one Ti(2), and one Fe(2) atom to form distorted OLiTi2Fe tetrahedra that share corners with two equivalent O(2)LiTi2Fe tetrahedra, corners with two equivalent O(7)LiTiFe2 tetrahedra, and corners with two equivalent O(8)LiTiFe2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Ti(3), one Fe(4), and one Fe(5) atom to form distorted OLiTiFe2 tetrahedra that share corners with two equivalent O(15)LiFe3 tetrahedra, corners with two equivalent O(11)LiTiFe2 tetrahedra, and corners with two equivalent O(12)LiTiFe2 tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one Fe(1), and one Fe(5) atom. In the seventh O site, O(7) is bonded to one Li(4), one Ti(1), one Fe(1), and one Fe(2) atom to form distorted OLiTiFe2 tetrahedra that share  a cornercorner with one O(2)LiTi2Fe tetrahedra,  a cornercorner with one O(8)LiTiFe2 tetrahedra, corners with two equivalent O(4)LiTi2Fe tetrahedra,  an edgeedge with one O(2)LiTi2Fe tetrahedra, and  an edgeedge with one O(8)LiTiFe2 tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Ti(2), one Fe(1), and one Fe(2) atom to form distorted OLiTiFe2 tetrahedra that share  a cornercorner with one O(2)LiTi2Fe tetrahedra,  a cornercorner with one O(7)LiTiFe2 tetrahedra, corners with two equivalent O(4)LiTi2Fe tetrahedra,  an edgeedge with one O(2)LiTi2Fe tetrahedra, and  an edgeedge with one O(7)LiTiFe2 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 Fe(3) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(1), one Fe(4), and one Fe(5) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Ti(3), one Fe(3), and one Fe(4) atom to form distorted OLiTiFe2 tetrahedra that share  a cornercorner with one O(15)LiFe3 tetrahedra,  a cornercorner with one O(12)LiTiFe2 tetrahedra, corners with two equivalent O(5)LiTiFe2 tetrahedra,  an edgeedge with one O(15)LiFe3 tetrahedra, and  an edgeedge with one O(12)LiTiFe2 tetrahedra. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(3), one Fe(3), and one Fe(5) atom to form distorted OLiTiFe2 tetrahedra that share  a cornercorner with one O(15)LiFe3 tetrahedra,  a cornercorner with one O(11)LiTiFe2 tetrahedra, corners with two equivalent O(5)LiTiFe2 tetrahedra,  an edgeedge with one O(15)LiFe3 tetrahedra, and  an edgeedge with one O(11)LiTiFe2 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 Fe(4), and one Fe(5) 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 Fe(2), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Fe(3), one Fe(4), and one Fe(5) atom to form a mixture of distorted corner and edge-sharing OLiFe3 tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Fe(2), and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Ti3Fe5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.945
_cell_length_b   5.947
_cell_length_c   9.626
_cell_angle_alpha   89.527
_cell_angle_beta   89.479
_cell_angle_gamma   60.097
_symmetry_Int_Tables_number   1
_cell_volume   295.018
_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  0.336  0.328  0.108  1.0
  Li  Li1  1  0.992  0.004  0.004  1.0
  Li  Li2  1  0.996  0.003  0.503  1.0
  Li  Li3  1  0.667  0.666  0.605  1.0
  Ti  Ti4  1  0.171  0.168  0.786  1.0
  Ti  Ti5  1  0.173  0.660  0.784  1.0
  Ti  Ti6  1  0.341  0.829  0.284  1.0
  Fe  Fe7  1  0.335  0.336  0.509  1.0
  Fe  Fe8  1  0.661  0.168  0.787  1.0
  Fe  Fe9  1  0.672  0.663  0.010  1.0
  Fe  Fe10  1  0.832  0.339  0.286  1.0
  Fe  Fe11  1  0.831  0.830  0.286  1.0
  O  O12  1  0.167  0.163  0.399  1.0
  O  O13  1  0.038  0.483  0.665  1.0
  O  O14  1  0.320  0.338  0.897  1.0
  O  O15  1  0.007  0.997  0.689  1.0
  O  O16  1  0.008  0.996  0.190  1.0
  O  O17  1  0.170  0.673  0.400  1.0
  O  O18  1  0.473  0.041  0.662  1.0
  O  O19  1  0.473  0.488  0.663  1.0
  O  O20  1  0.327  0.835  0.897  1.0
  O  O21  1  0.674  0.171  0.399  1.0
  O  O22  1  0.518  0.519  0.163  1.0
  O  O23  1  0.515  0.958  0.160  1.0
  O  O24  1  0.656  0.674  0.398  1.0
  O  O25  1  0.843  0.326  0.897  1.0
  O  O26  1  0.963  0.511  0.163  1.0
  O  O27  1  0.843  0.830  0.900  1.0
[/CIF]
.