The material structure described by Li10Fe5Co3O16 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(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(3), one O(5), two equivalent O(11), and two equivalent O(9) atoms. In the third Li site, Li(3) 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 Fe(2)O6 octahedra, corners with three equivalent Li(5)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, edges with four equivalent Fe(4)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the fourth Li site, Li(4) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-60°. In the fifth Li site, Li(5) is bonded to one O(6), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-62°. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(10), one O(6), two equivalent O(1), and two equivalent O(4) atoms. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom. In the eighth Li site, Li(8) is bonded to one O(2), one O(7), two equivalent O(11), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. In the second Fe site, Fe(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  a faceface with one Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-52°. In the third Fe site, Fe(3) is bonded to one O(3), one O(6), two equivalent O(11), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth Fe site, Fe(4) 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 Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are two inequivalent Co sites. In the first Co site, Co(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 CoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Co site, Co(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Fe(4)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. 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(5), one Li(6), one Li(7), one Fe(1), one Fe(4), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(8), two equivalent Li(7), one Fe(1), and two equivalent Co(1) atoms to form OLi3FeCo2 octahedra that share edges with four equivalent O(4)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co pentagonal pyramid, and  an edgeedge with one O(3)Li3FeCo2 pentagonal pyramid. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Fe(3), and two equivalent Co(1) atoms to form distorted OLi3FeCo2 pentagonal pyramids that share  an edgeedge with one O(12)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3FeCo2 octahedra, edges with two equivalent O(4)Li3Fe2Co octahedra, and edges with two equivalent O(9)Li3Fe2Co octahedra. In the fourth O site, O(4) is bonded to one Li(6), one Li(7), one Li(8), one Fe(1), one Fe(3), and one Co(1) atom to form OLi3Fe2Co octahedra that share edges with two equivalent O(4)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3FeCo2 octahedra,  an edgeedge with one O(10)Li3Fe2Co pentagonal pyramid, and  an edgeedge with one O(3)Li3FeCo2 pentagonal pyramid. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), two equivalent Li(1), two equivalent Fe(4), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(5), one Li(6), two equivalent Li(7), one Fe(3), and two equivalent Co(1) atoms. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(4), one Li(8), two equivalent Li(1), one Fe(2), and two equivalent Co(1) atoms. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(3), one Li(5), two equivalent Li(7), one Fe(1), and two equivalent Fe(4) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(3), one Fe(2), one Fe(4), and one Co(2) atom to form OLi3Fe2Co octahedra that share edges with two equivalent O(9)Li3Fe2Co octahedra, edges with two equivalent O(12)Li3Fe3 octahedra,  an edgeedge with one O(10)Li3Fe2Co pentagonal pyramid, and  an edgeedge with one O(3)Li3FeCo2 pentagonal pyramid. In the tenth O site, O(10) is bonded to one Li(6), two equivalent Li(7), two equivalent Fe(4), and one Co(2) atom to form distorted OLi3Fe2Co pentagonal pyramids that share  an edgeedge with one O(12)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3FeCo2 octahedra, edges with two equivalent O(4)Li3Fe2Co octahedra, and edges with two equivalent O(9)Li3Fe2Co octahedra. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(8), one Fe(2), one Fe(3), and one Co(1) atom. In the twelfth O site, O(12) is bonded to one Li(3), two equivalent Li(1), one Fe(2), and two equivalent Fe(4) atoms to form OLi3Fe3 octahedra that share edges with four equivalent O(9)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co pentagonal pyramid, and  an edgeedge with one O(3)Li3FeCo2 pentagonal pyramid. is represented by the CIF card [CIF]
data_Li10Fe5Co3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.899
_cell_length_b   5.899
_cell_length_c   9.729
_cell_angle_alpha   89.962
_cell_angle_beta   89.962
_cell_angle_gamma   59.912
_symmetry_Int_Tables_number   1
_cell_volume   292.980
_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  0.384  0.806  0.945  1.0
  Li  Li1  1  0.806  0.384  0.945  1.0
  Li  Li2  1  0.803  0.803  0.946  1.0
  Li  Li3  1  0.669  0.669  0.724  1.0
  Li  Li4  1  0.002  0.002  0.022  1.0
  Li  Li5  1  0.004  0.004  0.515  1.0
  Li  Li6  1  0.194  0.194  0.447  1.0
  Li  Li7  1  0.610  0.186  0.443  1.0
  Li  Li8  1  0.330  0.330  0.224  1.0
  Li  Li9  1  0.186  0.610  0.443  1.0
  Fe  Fe10  1  0.663  0.663  0.471  1.0
  Fe  Fe11  1  0.336  0.336  0.974  1.0
  Fe  Fe12  1  0.825  0.825  0.216  1.0
  Fe  Fe13  1  0.168  0.665  0.716  1.0
  Fe  Fe14  1  0.665  0.168  0.716  1.0
  Co  Co15  1  0.335  0.831  0.211  1.0
  Co  Co16  1  0.171  0.171  0.712  1.0
  Co  Co17  1  0.831  0.335  0.211  1.0
  O  O18  1  0.332  0.846  0.592  1.0
  O  O19  1  0.510  0.510  0.328  1.0
  O  O20  1  0.658  0.658  0.101  1.0
  O  O21  1  0.497  0.980  0.333  1.0
  O  O22  1  0.846  0.332  0.592  1.0
  O  O23  1  0.011  0.011  0.828  1.0
  O  O24  1  0.006  0.006  0.319  1.0
  O  O25  1  0.980  0.497  0.333  1.0
  O  O26  1  0.164  0.164  0.100  1.0
  O  O27  1  0.838  0.838  0.584  1.0
  O  O28  1  0.016  0.488  0.835  1.0
  O  O29  1  0.488  0.016  0.835  1.0
  O  O30  1  0.330  0.330  0.592  1.0
  O  O31  1  0.170  0.671  0.095  1.0
  O  O32  1  0.495  0.495  0.839  1.0
  O  O33  1  0.671  0.170  0.095  1.0
[/CIF]
.
The material structure described by Li10Fe5Co3O16 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(5), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(3), one O(5), two equivalent O(11), and two equivalent O(9) atoms. In the third Li site, Li(3) 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 Fe(2)O6 octahedra, corners with three equivalent Li(5)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, edges with four equivalent Fe(4)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the fourth Li site, Li(4) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-60°. In the fifth Li site, Li(5) is bonded to one O(6), one O(8), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-62°. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(10), one O(6), two equivalent O(1), and two equivalent O(4) atoms. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom. In the eighth Li site, Li(8) is bonded to one O(2), one O(7), two equivalent O(11), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Li(8)O6 octahedra, corners with four equivalent Fe(4)O6 octahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. In the second Fe site, Fe(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and  a faceface with one Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-52°. In the third Fe site, Fe(3) is bonded to one O(3), one O(6), two equivalent O(11), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the fourth Fe site, Fe(4) 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 Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are two inequivalent Co sites. In the first Co site, Co(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 CoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Co site, Co(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Fe(4)O6 octahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. 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(5), one Li(6), one Li(7), one Fe(1), one Fe(4), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(8), two equivalent Li(7), one Fe(1), and two equivalent Co(1) atoms to form OLi3FeCo2 octahedra that share edges with four equivalent O(4)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co pentagonal pyramid, and  an edgeedge with one O(3)Li3FeCo2 pentagonal pyramid. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Fe(3), and two equivalent Co(1) atoms to form distorted OLi3FeCo2 pentagonal pyramids that share  an edgeedge with one O(12)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3FeCo2 octahedra, edges with two equivalent O(4)Li3Fe2Co octahedra, and edges with two equivalent O(9)Li3Fe2Co octahedra. In the fourth O site, O(4) is bonded to one Li(6), one Li(7), one Li(8), one Fe(1), one Fe(3), and one Co(1) atom to form OLi3Fe2Co octahedra that share edges with two equivalent O(4)Li3Fe2Co octahedra, edges with two equivalent O(2)Li3FeCo2 octahedra,  an edgeedge with one O(10)Li3Fe2Co pentagonal pyramid, and  an edgeedge with one O(3)Li3FeCo2 pentagonal pyramid. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), two equivalent Li(1), two equivalent Fe(4), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(5), one Li(6), two equivalent Li(7), one Fe(3), and two equivalent Co(1) atoms. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(4), one Li(8), two equivalent Li(1), one Fe(2), and two equivalent Co(1) atoms. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(3), one Li(5), two equivalent Li(7), one Fe(1), and two equivalent Fe(4) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(3), one Fe(2), one Fe(4), and one Co(2) atom to form OLi3Fe2Co octahedra that share edges with two equivalent O(9)Li3Fe2Co octahedra, edges with two equivalent O(12)Li3Fe3 octahedra,  an edgeedge with one O(10)Li3Fe2Co pentagonal pyramid, and  an edgeedge with one O(3)Li3FeCo2 pentagonal pyramid. In the tenth O site, O(10) is bonded to one Li(6), two equivalent Li(7), two equivalent Fe(4), and one Co(2) atom to form distorted OLi3Fe2Co pentagonal pyramids that share  an edgeedge with one O(12)Li3Fe3 octahedra,  an edgeedge with one O(2)Li3FeCo2 octahedra, edges with two equivalent O(4)Li3Fe2Co octahedra, and edges with two equivalent O(9)Li3Fe2Co octahedra. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(4), one Li(8), one Fe(2), one Fe(3), and one Co(1) atom. In the twelfth O site, O(12) is bonded to one Li(3), two equivalent Li(1), one Fe(2), and two equivalent Fe(4) atoms to form OLi3Fe3 octahedra that share edges with four equivalent O(9)Li3Fe2Co octahedra,  an edgeedge with one O(10)Li3Fe2Co pentagonal pyramid, and  an edgeedge with one O(3)Li3FeCo2 pentagonal pyramid. is represented by the CIF card [CIF]
data_Li10Fe5Co3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.899
_cell_length_b   5.899
_cell_length_c   9.729
_cell_angle_alpha   89.962
_cell_angle_beta   89.962
_cell_angle_gamma   59.912
_symmetry_Int_Tables_number   1
_cell_volume   292.980
_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  0.384  0.806  0.945  1.0
  Li  Li1  1  0.806  0.384  0.945  1.0
  Li  Li2  1  0.803  0.803  0.946  1.0
  Li  Li3  1  0.669  0.669  0.724  1.0
  Li  Li4  1  0.002  0.002  0.022  1.0
  Li  Li5  1  0.004  0.004  0.515  1.0
  Li  Li6  1  0.194  0.194  0.447  1.0
  Li  Li7  1  0.610  0.186  0.443  1.0
  Li  Li8  1  0.330  0.330  0.224  1.0
  Li  Li9  1  0.186  0.610  0.443  1.0
  Fe  Fe10  1  0.663  0.663  0.471  1.0
  Fe  Fe11  1  0.336  0.336  0.974  1.0
  Fe  Fe12  1  0.825  0.825  0.216  1.0
  Fe  Fe13  1  0.168  0.665  0.716  1.0
  Fe  Fe14  1  0.665  0.168  0.716  1.0
  Co  Co15  1  0.335  0.831  0.211  1.0
  Co  Co16  1  0.171  0.171  0.712  1.0
  Co  Co17  1  0.831  0.335  0.211  1.0
  O  O18  1  0.332  0.846  0.592  1.0
  O  O19  1  0.510  0.510  0.328  1.0
  O  O20  1  0.658  0.658  0.101  1.0
  O  O21  1  0.497  0.980  0.333  1.0
  O  O22  1  0.846  0.332  0.592  1.0
  O  O23  1  0.011  0.011  0.828  1.0
  O  O24  1  0.006  0.006  0.319  1.0
  O  O25  1  0.980  0.497  0.333  1.0
  O  O26  1  0.164  0.164  0.100  1.0
  O  O27  1  0.838  0.838  0.584  1.0
  O  O28  1  0.016  0.488  0.835  1.0
  O  O29  1  0.488  0.016  0.835  1.0
  O  O30  1  0.330  0.330  0.592  1.0
  O  O31  1  0.170  0.671  0.095  1.0
  O  O32  1  0.495  0.495  0.839  1.0
  O  O33  1  0.671  0.170  0.095  1.0
[/CIF]
.