The structure described by Li2TiFe3O8 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(1), one O(6), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, and corners with three equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(16), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with three equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the fourth Li site, Li(4) is bonded to one O(12), one O(14), one O(15), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)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 55-63°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(16), one O(2), one O(4), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), one Fe(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OLiFe3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(2), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Fe(1), one Fe(4), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Fe(2), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Fe(1), and one Fe(4) atom. In the sixth O site, O(6) is bonded to one Li(1), one Ti(2), one Fe(2), and one Fe(5) atom to form distorted OLiTiFe2 trigonal pyramids that share  a cornercorner with one O(1)LiFe3 trigonal pyramid,  a cornercorner with one O(7)LiTiFe2 trigonal pyramid, corners with two equivalent O(12)LiTiFe2 trigonal pyramids, and  an edgeedge with one O(10)LiTiFe2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Ti(1), one Fe(3), and one Fe(4) atom to form distorted OLiTiFe2 trigonal pyramids that share  a cornercorner with one O(1)LiFe3 trigonal pyramid,  a cornercorner with one O(12)LiTiFe2 trigonal pyramid,  a cornercorner with one O(6)LiTiFe2 trigonal pyramid, and  an edgeedge with one O(1)LiFe3 trigonal pyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Fe(5), and one Fe(6) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one Fe(1), and one Fe(3) atom. In the tenth O site, O(10) is bonded to one Li(2), one Ti(2), one Fe(2), and one Fe(6) atom to form a mixture of distorted corner and edge-sharing OLiTiFe2 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(1), one Fe(1), and one Fe(6) atom. In the twelfth O site, O(12) is bonded to one Li(4), one Ti(2), one Fe(2), and one Fe(3) atom to form distorted OLiTiFe2 trigonal pyramids that share  a cornercorner with one O(1)LiFe3 trigonal pyramid,  a cornercorner with one O(7)LiTiFe2 trigonal pyramid, corners with two equivalent O(10)LiTiFe2 trigonal pyramids, and corners with two equivalent O(6)LiTiFe2 trigonal pyramids. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(1), one Fe(4), and one Fe(6) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), one Fe(3), and one Fe(5) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one Fe(1), and one Fe(4) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one Fe(2), and one Fe(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   5.963
_cell_length_c   10.400
_cell_angle_alpha   107.107
_cell_angle_beta   90.448
_cell_angle_gamma   60.237
_symmetry_Int_Tables_number   1
_cell_volume   304.141
_cell_formula_units_Z   2
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  0.318  0.374  0.566  1.0
  Li  Li1  1  0.806  0.379  0.066  1.0
  Li  Li2  1  0.180  0.628  0.934  1.0
  Li  Li3  1  0.695  0.620  0.434  1.0
  Ti  Ti4  1  0.753  0.500  0.748  1.0
  Ti  Ti5  1  0.252  0.499  0.250  1.0
  Fe  Fe6  1  0.249  0.000  0.751  1.0
  Fe  Fe7  1  0.751  0.999  0.250  1.0
  Fe  Fe8  1  0.006  0.992  0.498  1.0
  Fe  Fe9  1  0.748  0.003  0.750  1.0
  Fe  Fe10  1  0.250  1.000  0.250  1.0
  Fe  Fe11  1  0.493  0.006  0.001  1.0
  O  O12  1  0.117  0.791  0.638  1.0
  O  O13  1  0.590  0.794  0.134  1.0
  O  O14  1  0.380  0.210  0.863  1.0
  O  O15  1  0.912  0.206  0.366  1.0
  O  O16  1  0.862  0.258  0.859  1.0
  O  O17  1  0.376  0.238  0.357  1.0
  O  O18  1  0.660  0.240  0.630  1.0
  O  O19  1  0.148  0.253  0.133  1.0
  O  O20  1  0.113  0.237  0.640  1.0
  O  O21  1  0.600  0.247  0.135  1.0
  O  O22  1  0.385  0.763  0.860  1.0
  O  O23  1  0.903  0.751  0.366  1.0
  O  O24  1  0.839  0.761  0.870  1.0
  O  O25  1  0.353  0.746  0.367  1.0
  O  O26  1  0.635  0.745  0.641  1.0
  O  O27  1  0.126  0.761  0.143  1.0
[/CIF]
.
The structure described by Li2TiFe3O8 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(1), one O(6), one O(7), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, and corners with three equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(16), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and corners with three equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the fourth Li site, Li(4) is bonded to one O(12), one O(14), one O(15), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(2)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 55-63°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(16), one O(2), one O(4), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(12), one O(14), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. In the fifth Fe site, Fe(5) is bonded to one O(14), one O(16), one O(2), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, and  an edgeedge with one Fe(5)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), one Fe(3), and one Fe(4) atom to form a mixture of distorted corner and edge-sharing OLiFe3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(2), one Fe(5), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Fe(1), one Fe(4), and one Fe(6) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Fe(2), one Fe(3), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Fe(1), and one Fe(4) atom. In the sixth O site, O(6) is bonded to one Li(1), one Ti(2), one Fe(2), and one Fe(5) atom to form distorted OLiTiFe2 trigonal pyramids that share  a cornercorner with one O(1)LiFe3 trigonal pyramid,  a cornercorner with one O(7)LiTiFe2 trigonal pyramid, corners with two equivalent O(12)LiTiFe2 trigonal pyramids, and  an edgeedge with one O(10)LiTiFe2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(1), one Ti(1), one Fe(3), and one Fe(4) atom to form distorted OLiTiFe2 trigonal pyramids that share  a cornercorner with one O(1)LiFe3 trigonal pyramid,  a cornercorner with one O(12)LiTiFe2 trigonal pyramid,  a cornercorner with one O(6)LiTiFe2 trigonal pyramid, and  an edgeedge with one O(1)LiFe3 trigonal pyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Fe(5), and one Fe(6) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one Fe(1), and one Fe(3) atom. In the tenth O site, O(10) is bonded to one Li(2), one Ti(2), one Fe(2), and one Fe(6) atom to form a mixture of distorted corner and edge-sharing OLiTiFe2 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(1), one Fe(1), and one Fe(6) atom. In the twelfth O site, O(12) is bonded to one Li(4), one Ti(2), one Fe(2), and one Fe(3) atom to form distorted OLiTiFe2 trigonal pyramids that share  a cornercorner with one O(1)LiFe3 trigonal pyramid,  a cornercorner with one O(7)LiTiFe2 trigonal pyramid, corners with two equivalent O(10)LiTiFe2 trigonal pyramids, and corners with two equivalent O(6)LiTiFe2 trigonal pyramids. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(1), one Fe(4), and one Fe(6) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(2), one Fe(3), and one Fe(5) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one Fe(1), and one Fe(4) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(2), one Fe(2), and one Fe(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2TiFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   5.963
_cell_length_c   10.400
_cell_angle_alpha   107.107
_cell_angle_beta   90.448
_cell_angle_gamma   60.237
_symmetry_Int_Tables_number   1
_cell_volume   304.141
_cell_formula_units_Z   2
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  0.318  0.374  0.566  1.0
  Li  Li1  1  0.806  0.379  0.066  1.0
  Li  Li2  1  0.180  0.628  0.934  1.0
  Li  Li3  1  0.695  0.620  0.434  1.0
  Ti  Ti4  1  0.753  0.500  0.748  1.0
  Ti  Ti5  1  0.252  0.499  0.250  1.0
  Fe  Fe6  1  0.249  0.000  0.751  1.0
  Fe  Fe7  1  0.751  0.999  0.250  1.0
  Fe  Fe8  1  0.006  0.992  0.498  1.0
  Fe  Fe9  1  0.748  0.003  0.750  1.0
  Fe  Fe10  1  0.250  1.000  0.250  1.0
  Fe  Fe11  1  0.493  0.006  0.001  1.0
  O  O12  1  0.117  0.791  0.638  1.0
  O  O13  1  0.590  0.794  0.134  1.0
  O  O14  1  0.380  0.210  0.863  1.0
  O  O15  1  0.912  0.206  0.366  1.0
  O  O16  1  0.862  0.258  0.859  1.0
  O  O17  1  0.376  0.238  0.357  1.0
  O  O18  1  0.660  0.240  0.630  1.0
  O  O19  1  0.148  0.253  0.133  1.0
  O  O20  1  0.113  0.237  0.640  1.0
  O  O21  1  0.600  0.247  0.135  1.0
  O  O22  1  0.385  0.763  0.860  1.0
  O  O23  1  0.903  0.751  0.366  1.0
  O  O24  1  0.839  0.761  0.870  1.0
  O  O25  1  0.353  0.746  0.367  1.0
  O  O26  1  0.635  0.745  0.641  1.0
  O  O27  1  0.126  0.761  0.143  1.0
[/CIF]
.