The material described by Li4Nb2Cr3Fe3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the second Nb site, Nb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form NbO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with four equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), one Cr(2), and one Fe(2) atom. In the second O site, O(2) is bonded to one Li(4), one Nb(1), and two equivalent Cr(1) atoms to form distorted OLiNbCr2 tetrahedra that share corners with two equivalent O(4)LiCr2Fe tetrahedra, corners with two equivalent O(6)LiNbCrFe tetrahedra,  a cornercorner with one O(10)LiCrFe2 trigonal pyramid, edges with two equivalent O(6)LiNbCrFe tetrahedra, and  an edgeedge with one O(3)LiCr2Fe trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), two equivalent Cr(1), and one Fe(1) atom to form distorted OLiCr2Fe trigonal pyramids that share  a cornercorner with one O(12)LiNbFe2 tetrahedra, corners with two equivalent O(9)LiNbCrFe tetrahedra, corners with three equivalent O(4)LiCr2Fe tetrahedra,  an edgeedge with one O(2)LiNbCr2 tetrahedra, and edges with two equivalent O(6)LiNbCrFe tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cr(1), and one Fe(1) atom to form OLiCr2Fe tetrahedra that share corners with two equivalent O(2)LiNbCr2 tetrahedra, corners with four equivalent O(6)LiNbCrFe tetrahedra, and corners with three equivalent O(3)LiCr2Fe trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Cr(2), and two equivalent Fe(2) atoms to form OLiCrFe2 tetrahedra that share corners with two equivalent O(12)LiNbFe2 tetrahedra, corners with four equivalent O(9)LiNbCrFe tetrahedra, and corners with three equivalent O(10)LiCrFe2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Nb(1), one Cr(1), and one Fe(1) atom to form distorted OLiNbCrFe tetrahedra that share  a cornercorner with one O(2)LiNbCr2 tetrahedra,  a cornercorner with one O(6)LiNbCrFe tetrahedra, corners with two equivalent O(4)LiCr2Fe tetrahedra,  a cornercorner with one O(10)LiCrFe2 trigonal pyramid,  an edgeedge with one O(2)LiNbCr2 tetrahedra,  an edgeedge with one O(6)LiNbCrFe tetrahedra, and  an edgeedge with one O(3)LiCr2Fe trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), and two equivalent Cr(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Nb(2), one Cr(2), and one Fe(2) atom to form distorted OLiNbCrFe tetrahedra that share  a cornercorner with one O(9)LiNbCrFe tetrahedra,  a cornercorner with one O(12)LiNbFe2 tetrahedra, corners with two equivalent O(5)LiCrFe2 tetrahedra,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid,  an edgeedge with one O(9)LiNbCrFe tetrahedra,  an edgeedge with one O(12)LiNbFe2 tetrahedra, and  an edgeedge with one O(10)LiCrFe2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(4), one Cr(2), and two equivalent Fe(2) atoms to form distorted OLiCrFe2 trigonal pyramids that share  a cornercorner with one O(2)LiNbCr2 tetrahedra, corners with two equivalent O(6)LiNbCrFe tetrahedra, corners with three equivalent O(5)LiCrFe2 tetrahedra,  an edgeedge with one O(12)LiNbFe2 tetrahedra, and edges with two equivalent O(9)LiNbCrFe tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one Cr(1), and one Fe(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Nb(2), and two equivalent Fe(2) atoms to form distorted OLiNbFe2 tetrahedra that share corners with two equivalent O(5)LiCrFe2 tetrahedra, corners with two equivalent O(9)LiNbCrFe tetrahedra,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid, edges with two equivalent O(9)LiNbCrFe tetrahedra, and  an edgeedge with one O(10)LiCrFe2 trigonal pyramid. is represented by the CIF file [CIF]
data_Li4Nb2Cr3Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.997
_cell_length_b   5.997
_cell_length_c   9.705
_cell_angle_alpha   89.510
_cell_angle_beta   89.510
_cell_angle_gamma   59.952
_symmetry_Int_Tables_number   1
_cell_volume   302.131
_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  0.666  0.666  0.097  1.0
  Li  Li1  1  0.000  0.000  0.009  1.0
  Li  Li2  1  0.000  0.000  0.509  1.0
  Li  Li3  1  0.333  0.333  0.600  1.0
  Nb  Nb4  1  0.666  0.666  0.508  1.0
  Nb  Nb5  1  0.332  0.332  0.005  1.0
  Cr  Cr6  1  0.341  0.830  0.786  1.0
  Cr  Cr7  1  0.830  0.341  0.786  1.0
  Cr  Cr8  1  0.171  0.171  0.286  1.0
  Fe  Fe9  1  0.829  0.829  0.781  1.0
  Fe  Fe10  1  0.172  0.658  0.282  1.0
  Fe  Fe11  1  0.658  0.172  0.282  1.0
  O  O12  1  0.335  0.835  0.407  1.0
  O  O13  1  0.520  0.520  0.661  1.0
  O  O14  1  0.669  0.669  0.891  1.0
  O  O15  1  0.999  0.999  0.694  1.0
  O  O16  1  1.000  1.000  0.195  1.0
  O  O17  1  0.835  0.335  0.407  1.0
  O  O18  1  0.516  0.962  0.657  1.0
  O  O19  1  0.962  0.516  0.657  1.0
  O  O20  1  0.167  0.167  0.905  1.0
  O  O21  1  0.832  0.832  0.410  1.0
  O  O22  1  0.038  0.478  0.157  1.0
  O  O23  1  0.478  0.038  0.157  1.0
  O  O24  1  0.335  0.335  0.392  1.0
  O  O25  1  0.170  0.665  0.908  1.0
  O  O26  1  0.481  0.481  0.154  1.0
  O  O27  1  0.665  0.170  0.908  1.0
[/CIF]
.
The material described by Li4Nb2Cr3Fe3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-65°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the second Nb site, Nb(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form NbO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with four equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), one Cr(2), and one Fe(2) atom. In the second O site, O(2) is bonded to one Li(4), one Nb(1), and two equivalent Cr(1) atoms to form distorted OLiNbCr2 tetrahedra that share corners with two equivalent O(4)LiCr2Fe tetrahedra, corners with two equivalent O(6)LiNbCrFe tetrahedra,  a cornercorner with one O(10)LiCrFe2 trigonal pyramid, edges with two equivalent O(6)LiNbCrFe tetrahedra, and  an edgeedge with one O(3)LiCr2Fe trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), two equivalent Cr(1), and one Fe(1) atom to form distorted OLiCr2Fe trigonal pyramids that share  a cornercorner with one O(12)LiNbFe2 tetrahedra, corners with two equivalent O(9)LiNbCrFe tetrahedra, corners with three equivalent O(4)LiCr2Fe tetrahedra,  an edgeedge with one O(2)LiNbCr2 tetrahedra, and edges with two equivalent O(6)LiNbCrFe tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cr(1), and one Fe(1) atom to form OLiCr2Fe tetrahedra that share corners with two equivalent O(2)LiNbCr2 tetrahedra, corners with four equivalent O(6)LiNbCrFe tetrahedra, and corners with three equivalent O(3)LiCr2Fe trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Cr(2), and two equivalent Fe(2) atoms to form OLiCrFe2 tetrahedra that share corners with two equivalent O(12)LiNbFe2 tetrahedra, corners with four equivalent O(9)LiNbCrFe tetrahedra, and corners with three equivalent O(10)LiCrFe2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Nb(1), one Cr(1), and one Fe(1) atom to form distorted OLiNbCrFe tetrahedra that share  a cornercorner with one O(2)LiNbCr2 tetrahedra,  a cornercorner with one O(6)LiNbCrFe tetrahedra, corners with two equivalent O(4)LiCr2Fe tetrahedra,  a cornercorner with one O(10)LiCrFe2 trigonal pyramid,  an edgeedge with one O(2)LiNbCr2 tetrahedra,  an edgeedge with one O(6)LiNbCrFe tetrahedra, and  an edgeedge with one O(3)LiCr2Fe trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), and two equivalent Cr(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(1), and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Nb(2), one Cr(2), and one Fe(2) atom to form distorted OLiNbCrFe tetrahedra that share  a cornercorner with one O(9)LiNbCrFe tetrahedra,  a cornercorner with one O(12)LiNbFe2 tetrahedra, corners with two equivalent O(5)LiCrFe2 tetrahedra,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid,  an edgeedge with one O(9)LiNbCrFe tetrahedra,  an edgeedge with one O(12)LiNbFe2 tetrahedra, and  an edgeedge with one O(10)LiCrFe2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(4), one Cr(2), and two equivalent Fe(2) atoms to form distorted OLiCrFe2 trigonal pyramids that share  a cornercorner with one O(2)LiNbCr2 tetrahedra, corners with two equivalent O(6)LiNbCrFe tetrahedra, corners with three equivalent O(5)LiCrFe2 tetrahedra,  an edgeedge with one O(12)LiNbFe2 tetrahedra, and edges with two equivalent O(9)LiNbCrFe tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(2), one Cr(1), and one Fe(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Nb(2), and two equivalent Fe(2) atoms to form distorted OLiNbFe2 tetrahedra that share corners with two equivalent O(5)LiCrFe2 tetrahedra, corners with two equivalent O(9)LiNbCrFe tetrahedra,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid, edges with two equivalent O(9)LiNbCrFe tetrahedra, and  an edgeedge with one O(10)LiCrFe2 trigonal pyramid. is represented by the CIF file [CIF]
data_Li4Nb2Cr3Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.997
_cell_length_b   5.997
_cell_length_c   9.705
_cell_angle_alpha   89.510
_cell_angle_beta   89.510
_cell_angle_gamma   59.952
_symmetry_Int_Tables_number   1
_cell_volume   302.131
_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  0.666  0.666  0.097  1.0
  Li  Li1  1  0.000  0.000  0.009  1.0
  Li  Li2  1  0.000  0.000  0.509  1.0
  Li  Li3  1  0.333  0.333  0.600  1.0
  Nb  Nb4  1  0.666  0.666  0.508  1.0
  Nb  Nb5  1  0.332  0.332  0.005  1.0
  Cr  Cr6  1  0.341  0.830  0.786  1.0
  Cr  Cr7  1  0.830  0.341  0.786  1.0
  Cr  Cr8  1  0.171  0.171  0.286  1.0
  Fe  Fe9  1  0.829  0.829  0.781  1.0
  Fe  Fe10  1  0.172  0.658  0.282  1.0
  Fe  Fe11  1  0.658  0.172  0.282  1.0
  O  O12  1  0.335  0.835  0.407  1.0
  O  O13  1  0.520  0.520  0.661  1.0
  O  O14  1  0.669  0.669  0.891  1.0
  O  O15  1  0.999  0.999  0.694  1.0
  O  O16  1  1.000  1.000  0.195  1.0
  O  O17  1  0.835  0.335  0.407  1.0
  O  O18  1  0.516  0.962  0.657  1.0
  O  O19  1  0.962  0.516  0.657  1.0
  O  O20  1  0.167  0.167  0.905  1.0
  O  O21  1  0.832  0.832  0.410  1.0
  O  O22  1  0.038  0.478  0.157  1.0
  O  O23  1  0.478  0.038  0.157  1.0
  O  O24  1  0.335  0.335  0.392  1.0
  O  O25  1  0.170  0.665  0.908  1.0
  O  O26  1  0.481  0.481  0.154  1.0
  O  O27  1  0.665  0.170  0.908  1.0
[/CIF]
.