The material described by Li10Cr3Fe3(NiO8)2 crystallizes in the monoclinic Cm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(6), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Ni(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 8-61°. In the third Li site, Li(3) is bonded to one O(5), one O(8), and two equivalent O(1) 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 three equivalent Li(4)O6 octahedra, corners with three equivalent Ni(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 8-61°. In the fourth Li site, Li(4) is bonded to one O(12), one O(8), two equivalent O(1), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(3), one O(6), two equivalent O(11), and two equivalent O(9) atoms. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(5), and one O(8) atom. In the seventh Li site, Li(7) is bonded to one O(2), one O(7), two equivalent O(11), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Cr(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to one O(10), one O(5), two equivalent O(1), and two equivalent O(4) atoms. 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(5), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(7)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 50°. In the second Cr site, Cr(2) is bonded to one O(10), one O(6), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(4)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 49°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(5), two equivalent O(11), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(7)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 50°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(4)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 51°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(4) atoms to form distorted NiO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-51°. In the second Ni site, Ni(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted NiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-50°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(3), one Li(4), one Li(6), one Li(8), one Cr(2), one Fe(2), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(7), two equivalent Li(6), two equivalent Cr(1), and one Ni(1) atom to form OLi3Cr2Ni octahedra that share edges with four equivalent O(4)Li3CrFeNi octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(10)Li3CrFe2 pentagonal pyramid. In the third O site, O(3) is bonded to one Li(5), two equivalent Li(1), two equivalent Cr(1), and one Fe(1) atom to form distorted OLi3Cr2Fe pentagonal pyramids that share  an edgeedge with one O(2)Li3Cr2Ni octahedra,  an edgeedge with one O(12)Li3Fe2Ni octahedra, edges with two equivalent O(4)Li3CrFeNi octahedra, and edges with two equivalent O(9)Li3CrFeNi octahedra. In the fourth O site, O(4) is bonded to one Li(6), one Li(7), one Li(8), one Cr(1), one Fe(1), and one Ni(1) atom to form OLi3CrFeNi octahedra that share edges with two equivalent O(2)Li3Cr2Ni octahedra, edges with two equivalent O(4)Li3CrFeNi octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(10)Li3CrFe2 pentagonal pyramid. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(3), one Li(8), two equivalent Li(6), two equivalent Cr(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(2), one Li(5), two equivalent Li(1), one Cr(2), and two equivalent Fe(2) atoms. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(2), one Li(7), two equivalent Li(1), two equivalent Cr(1), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(3), one Li(4), two equivalent Li(6), two equivalent Fe(2), and one Ni(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Li(5), one Cr(2), one Fe(2), and one Ni(2) atom to form OLi3CrFeNi octahedra that share edges with two equivalent O(9)Li3CrFeNi octahedra, edges with two equivalent O(12)Li3Fe2Ni octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(10)Li3CrFe2 pentagonal pyramid. In the tenth O site, O(10) is bonded to one Li(8), two equivalent Li(6), one Cr(2), and two equivalent Fe(2) atoms to form distorted OLi3CrFe2 pentagonal pyramids that share  an edgeedge with one O(2)Li3Cr2Ni octahedra,  an edgeedge with one O(12)Li3Fe2Ni octahedra, edges with two equivalent O(4)Li3CrFeNi octahedra, and edges with two equivalent O(9)Li3CrFeNi octahedra. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(5), one Li(7), one Cr(1), one Fe(1), and one Ni(2) atom. In the twelfth O site, O(12) is bonded to one Li(4), two equivalent Li(1), two equivalent Fe(2), and one Ni(2) atom to form OLi3Fe2Ni octahedra that share edges with four equivalent O(9)Li3CrFeNi octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(10)Li3CrFe2 pentagonal pyramid. is represented by the CIF card [CIF]
data_Li10Cr3Fe3(NiO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.978
_cell_length_b   5.978
_cell_length_c   9.838
_cell_angle_alpha   89.774
_cell_angle_beta   89.774
_cell_angle_gamma   59.851
_symmetry_Int_Tables_number   1
_cell_volume   304.062
_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  0.817  0.406  0.941  1.0
  Li  Li1  1  0.015  0.015  0.016  1.0
  Li  Li2  1  0.017  0.017  0.515  1.0
  Li  Li3  1  0.406  0.817  0.941  1.0
  Li  Li4  1  0.684  0.684  0.717  1.0
  Li  Li5  1  0.818  0.818  0.942  1.0
  Li  Li6  1  0.620  0.206  0.442  1.0
  Li  Li7  1  0.347  0.347  0.217  1.0
  Li  Li8  1  0.211  0.211  0.443  1.0
  Li  Li9  1  0.206  0.620  0.442  1.0
  Cr  Cr10  1  0.848  0.348  0.215  1.0
  Cr  Cr11  1  0.348  0.848  0.215  1.0
  Cr  Cr12  1  0.185  0.185  0.714  1.0
  Fe  Fe13  1  0.845  0.845  0.215  1.0
  Fe  Fe14  1  0.673  0.191  0.715  1.0
  Fe  Fe15  1  0.191  0.673  0.715  1.0
  Ni  Ni16  1  0.682  0.682  0.470  1.0
  Ni  Ni17  1  0.350  0.350  0.970  1.0
  O  O18  1  0.852  0.346  0.598  1.0
  O  O19  1  0.523  0.523  0.333  1.0
  O  O20  1  0.680  0.680  0.098  1.0
  O  O21  1  1.000  0.518  0.332  1.0
  O  O22  1  0.016  0.016  0.326  1.0
  O  O23  1  0.019  0.019  0.827  1.0
  O  O24  1  0.346  0.852  0.598  1.0
  O  O25  1  0.518  1.000  0.332  1.0
  O  O26  1  0.176  0.176  0.098  1.0
  O  O27  1  0.855  0.855  0.594  1.0
  O  O28  1  0.502  0.038  0.833  1.0
  O  O29  1  0.038  0.502  0.833  1.0
  O  O30  1  0.349  0.349  0.596  1.0
  O  O31  1  0.693  0.175  0.096  1.0
  O  O32  1  0.509  0.509  0.833  1.0
  O  O33  1  0.175  0.693  0.096  1.0
[/CIF]
.
The material described by Li10Cr3Fe3(NiO8)2 crystallizes in the monoclinic Cm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(3), one O(6), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(6), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Ni(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 8-61°. In the third Li site, Li(3) is bonded to one O(5), one O(8), and two equivalent O(1) 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 three equivalent Li(4)O6 octahedra, corners with three equivalent Ni(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 8-61°. In the fourth Li site, Li(4) is bonded to one O(12), one O(8), two equivalent O(1), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(3), one O(6), two equivalent O(11), and two equivalent O(9) atoms. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(5), and one O(8) atom. In the seventh Li site, Li(7) is bonded to one O(2), one O(7), two equivalent O(11), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Cr(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the eighth Li site, Li(8) is bonded in a 6-coordinate geometry to one O(10), one O(5), two equivalent O(1), and two equivalent O(4) atoms. 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(5), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(7)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 50°. In the second Cr site, Cr(2) is bonded to one O(10), one O(6), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(4)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 49°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(5), two equivalent O(11), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(7)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 50°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(4)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 51°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(4) atoms to form distorted NiO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Li(7)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and  a faceface with one Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-51°. In the second Ni site, Ni(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted NiO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-50°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(3), one Li(4), one Li(6), one Li(8), one Cr(2), one Fe(2), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(7), two equivalent Li(6), two equivalent Cr(1), and one Ni(1) atom to form OLi3Cr2Ni octahedra that share edges with four equivalent O(4)Li3CrFeNi octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(10)Li3CrFe2 pentagonal pyramid. In the third O site, O(3) is bonded to one Li(5), two equivalent Li(1), two equivalent Cr(1), and one Fe(1) atom to form distorted OLi3Cr2Fe pentagonal pyramids that share  an edgeedge with one O(2)Li3Cr2Ni octahedra,  an edgeedge with one O(12)Li3Fe2Ni octahedra, edges with two equivalent O(4)Li3CrFeNi octahedra, and edges with two equivalent O(9)Li3CrFeNi octahedra. In the fourth O site, O(4) is bonded to one Li(6), one Li(7), one Li(8), one Cr(1), one Fe(1), and one Ni(1) atom to form OLi3CrFeNi octahedra that share edges with two equivalent O(2)Li3Cr2Ni octahedra, edges with two equivalent O(4)Li3CrFeNi octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(10)Li3CrFe2 pentagonal pyramid. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(3), one Li(8), two equivalent Li(6), two equivalent Cr(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(2), one Li(5), two equivalent Li(1), one Cr(2), and two equivalent Fe(2) atoms. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(2), one Li(7), two equivalent Li(1), two equivalent Cr(1), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(3), one Li(4), two equivalent Li(6), two equivalent Fe(2), and one Ni(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Li(5), one Cr(2), one Fe(2), and one Ni(2) atom to form OLi3CrFeNi octahedra that share edges with two equivalent O(9)Li3CrFeNi octahedra, edges with two equivalent O(12)Li3Fe2Ni octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(10)Li3CrFe2 pentagonal pyramid. In the tenth O site, O(10) is bonded to one Li(8), two equivalent Li(6), one Cr(2), and two equivalent Fe(2) atoms to form distorted OLi3CrFe2 pentagonal pyramids that share  an edgeedge with one O(2)Li3Cr2Ni octahedra,  an edgeedge with one O(12)Li3Fe2Ni octahedra, edges with two equivalent O(4)Li3CrFeNi octahedra, and edges with two equivalent O(9)Li3CrFeNi octahedra. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(5), one Li(7), one Cr(1), one Fe(1), and one Ni(2) atom. In the twelfth O site, O(12) is bonded to one Li(4), two equivalent Li(1), two equivalent Fe(2), and one Ni(2) atom to form OLi3Fe2Ni octahedra that share edges with four equivalent O(9)Li3CrFeNi octahedra,  an edgeedge with one O(3)Li3Cr2Fe pentagonal pyramid, and  an edgeedge with one O(10)Li3CrFe2 pentagonal pyramid. is represented by the CIF card [CIF]
data_Li10Cr3Fe3(NiO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.978
_cell_length_b   5.978
_cell_length_c   9.838
_cell_angle_alpha   89.774
_cell_angle_beta   89.774
_cell_angle_gamma   59.851
_symmetry_Int_Tables_number   1
_cell_volume   304.062
_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  0.817  0.406  0.941  1.0
  Li  Li1  1  0.015  0.015  0.016  1.0
  Li  Li2  1  0.017  0.017  0.515  1.0
  Li  Li3  1  0.406  0.817  0.941  1.0
  Li  Li4  1  0.684  0.684  0.717  1.0
  Li  Li5  1  0.818  0.818  0.942  1.0
  Li  Li6  1  0.620  0.206  0.442  1.0
  Li  Li7  1  0.347  0.347  0.217  1.0
  Li  Li8  1  0.211  0.211  0.443  1.0
  Li  Li9  1  0.206  0.620  0.442  1.0
  Cr  Cr10  1  0.848  0.348  0.215  1.0
  Cr  Cr11  1  0.348  0.848  0.215  1.0
  Cr  Cr12  1  0.185  0.185  0.714  1.0
  Fe  Fe13  1  0.845  0.845  0.215  1.0
  Fe  Fe14  1  0.673  0.191  0.715  1.0
  Fe  Fe15  1  0.191  0.673  0.715  1.0
  Ni  Ni16  1  0.682  0.682  0.470  1.0
  Ni  Ni17  1  0.350  0.350  0.970  1.0
  O  O18  1  0.852  0.346  0.598  1.0
  O  O19  1  0.523  0.523  0.333  1.0
  O  O20  1  0.680  0.680  0.098  1.0
  O  O21  1  1.000  0.518  0.332  1.0
  O  O22  1  0.016  0.016  0.326  1.0
  O  O23  1  0.019  0.019  0.827  1.0
  O  O24  1  0.346  0.852  0.598  1.0
  O  O25  1  0.518  1.000  0.332  1.0
  O  O26  1  0.176  0.176  0.098  1.0
  O  O27  1  0.855  0.855  0.594  1.0
  O  O28  1  0.502  0.038  0.833  1.0
  O  O29  1  0.038  0.502  0.833  1.0
  O  O30  1  0.349  0.349  0.596  1.0
  O  O31  1  0.693  0.175  0.096  1.0
  O  O32  1  0.509  0.509  0.833  1.0
  O  O33  1  0.175  0.693  0.096  1.0
[/CIF]
.