The crystal structure described by Li2MnCo3O8 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(13), one O(15), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the second Li site, Li(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 LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(13), one O(15), one O(3), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(14), one O(16), one O(2), and one O(4) atom to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(13), one O(15), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(12), one O(14), one O(16), and one O(3) atom to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the second Co site, Co(2) is bonded to one O(11), one O(13), one O(15), one O(2), one O(4), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(15), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(16), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the fifth Co site, Co(5) is bonded to one O(1), one O(12), one O(13), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the sixth Co site, Co(6) is bonded to one O(11), one O(14), one O(2), one O(3), one O(5), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. 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 Co(1), one Co(3), and one Co(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(1), one Co(4), and one Co(6) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(2), one Co(3), and one Co(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(4), and one Co(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Co(3), and one Co(5) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(3), and one Co(5) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Co(4), and one Co(6) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Mn(1), one Co(2), and one Co(4) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Mn(2), one Co(1), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Mn(1), one Co(2), and one Co(6) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Mn(2), one Co(1), and one Co(5) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(3), one Mn(1), one Co(2), and one Co(5) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(4), one Mn(2), one Co(1), and one Co(6) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(3), one Mn(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(4), one Mn(2), one Co(1), and one Co(4) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.938
_cell_length_b   5.993
_cell_length_c   8.117
_cell_angle_alpha   87.429
_cell_angle_beta   90.021
_cell_angle_gamma   89.954
_symmetry_Int_Tables_number   1
_cell_volume   288.562
_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  0.994  0.001  0.500  1.0
  Li  Li1  1  0.505  0.499  0.001  1.0
  Li  Li2  1  0.504  0.001  0.500  1.0
  Li  Li3  1  0.996  0.499  0.000  1.0
  Mn  Mn4  1  0.505  0.500  0.500  1.0
  Mn  Mn5  1  0.993  1.000  0.000  1.0
  Co  Co6  1  0.498  0.999  1.000  1.0
  Co  Co7  1  0.001  0.501  0.500  1.0
  Co  Co8  1  0.250  0.749  0.250  1.0
  Co  Co9  1  0.750  0.250  0.750  1.0
  Co  Co10  1  0.750  0.750  0.250  1.0
  Co  Co11  1  0.251  0.251  0.750  1.0
  O  O12  1  0.518  0.963  0.235  1.0
  O  O13  1  0.982  0.464  0.735  1.0
  O  O14  1  0.519  0.038  0.764  1.0
  O  O15  1  0.983  0.536  0.265  1.0
  O  O16  1  0.983  0.035  0.761  1.0
  O  O17  1  0.516  0.534  0.262  1.0
  O  O18  1  0.985  0.966  0.238  1.0
  O  O19  1  0.517  0.466  0.740  1.0
  O  O20  1  0.738  0.272  0.515  1.0
  O  O21  1  0.234  0.775  0.011  1.0
  O  O22  1  0.266  0.275  0.513  1.0
  O  O23  1  0.763  0.768  0.017  1.0
  O  O24  1  0.737  0.730  0.483  1.0
  O  O25  1  0.234  0.226  0.987  1.0
  O  O26  1  0.266  0.725  0.490  1.0
  O  O27  1  0.762  0.229  0.984  1.0
[/CIF]
.
The crystal structure described by Li2MnCo3O8 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(13), one O(15), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the second Li site, Li(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 LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(13), one O(15), one O(3), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(14), one O(16), one O(2), and one O(4) atom to form LiO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(13), one O(15), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(12), one O(14), one O(16), and one O(3) atom to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the second Co site, Co(2) is bonded to one O(11), one O(13), one O(15), one O(2), one O(4), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(15), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(16), one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the fifth Co site, Co(5) is bonded to one O(1), one O(12), one O(13), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the sixth Co site, Co(6) is bonded to one O(11), one O(14), one O(2), one O(3), one O(5), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. 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 Co(1), one Co(3), and one Co(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(1), one Co(4), and one Co(6) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(2), one Co(3), and one Co(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(4), and one Co(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Co(3), and one Co(5) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(3), and one Co(5) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Co(4), and one Co(6) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Mn(1), one Co(2), and one Co(4) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Mn(2), one Co(1), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Mn(1), one Co(2), and one Co(6) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Mn(2), one Co(1), and one Co(5) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(3), one Mn(1), one Co(2), and one Co(5) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(4), one Mn(2), one Co(1), and one Co(6) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(3), one Mn(1), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(4), one Mn(2), one Co(1), and one Co(4) atom to form a mixture of corner and edge-sharing OLi2MnCo2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.938
_cell_length_b   5.993
_cell_length_c   8.117
_cell_angle_alpha   87.429
_cell_angle_beta   90.021
_cell_angle_gamma   89.954
_symmetry_Int_Tables_number   1
_cell_volume   288.562
_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  0.994  0.001  0.500  1.0
  Li  Li1  1  0.505  0.499  0.001  1.0
  Li  Li2  1  0.504  0.001  0.500  1.0
  Li  Li3  1  0.996  0.499  0.000  1.0
  Mn  Mn4  1  0.505  0.500  0.500  1.0
  Mn  Mn5  1  0.993  1.000  0.000  1.0
  Co  Co6  1  0.498  0.999  1.000  1.0
  Co  Co7  1  0.001  0.501  0.500  1.0
  Co  Co8  1  0.250  0.749  0.250  1.0
  Co  Co9  1  0.750  0.250  0.750  1.0
  Co  Co10  1  0.750  0.750  0.250  1.0
  Co  Co11  1  0.251  0.251  0.750  1.0
  O  O12  1  0.518  0.963  0.235  1.0
  O  O13  1  0.982  0.464  0.735  1.0
  O  O14  1  0.519  0.038  0.764  1.0
  O  O15  1  0.983  0.536  0.265  1.0
  O  O16  1  0.983  0.035  0.761  1.0
  O  O17  1  0.516  0.534  0.262  1.0
  O  O18  1  0.985  0.966  0.238  1.0
  O  O19  1  0.517  0.466  0.740  1.0
  O  O20  1  0.738  0.272  0.515  1.0
  O  O21  1  0.234  0.775  0.011  1.0
  O  O22  1  0.266  0.275  0.513  1.0
  O  O23  1  0.763  0.768  0.017  1.0
  O  O24  1  0.737  0.730  0.483  1.0
  O  O25  1  0.234  0.226  0.987  1.0
  O  O26  1  0.266  0.725  0.490  1.0
  O  O27  1  0.762  0.229  0.984  1.0
[/CIF]
.