The material described by Li7Mn4CoO12 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the second Li site, Li(2) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. Co(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with two equivalent O(2)Li3Mn2Co octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with three equivalent O(3)Li4Mn2 octahedra, and edges with three equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(2), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(2)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with three equivalent O(6)Li3Mn2Co octahedra, and edges with three equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(3), one Li(4), two equivalent Li(1), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(2)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with three equivalent O(5)Li3Mn2Co octahedra, and edges with three equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), two equivalent Li(2), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(5)Li3Mn2Co octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with three equivalent O(2)Li3Mn2Co octahedra, and edges with three equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fifth O site, O(5) is bonded to one Li(3), two equivalent Li(1), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(5)Li3Mn2Co octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(2)Li3Mn2Co octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with three equivalent O(6)Li3Mn2Co octahedra, and edges with three equivalent O(3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), two equivalent Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with three equivalent O(2)Li3Mn2Co octahedra, and edges with three equivalent O(5)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Mn4CoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   6.477
_cell_length_c   6.511
_cell_angle_alpha   82.920
_cell_angle_beta   96.350
_cell_angle_gamma   96.204
_symmetry_Int_Tables_number   1
_cell_volume   214.511
_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  0.758  0.255  0.252  1.0
  Li  Li1  1  0.758  0.582  0.924  1.0
  Li  Li2  1  0.242  0.078  0.415  1.0
  Li  Li3  1  0.247  0.408  0.071  1.0
  Li  Li4  1  0.753  0.926  0.596  1.0
  Li  Li5  1  0.242  0.751  0.743  1.0
  Li  Li6  1  0.500  0.167  0.833  1.0
  Mn  Mn7  1  0.000  0.999  0.000  1.0
  Mn  Mn8  1  0.000  0.334  0.666  1.0
  Mn  Mn9  1  0.500  0.837  0.163  1.0
  Mn  Mn10  1  0.500  0.497  0.504  1.0
  Co  Co11  1  0.000  0.667  0.333  1.0
  O  O12  1  0.896  0.281  0.947  1.0
  O  O13  1  0.894  0.616  0.615  1.0
  O  O14  1  0.349  0.102  0.117  1.0
  O  O15  1  0.349  0.451  0.769  1.0
  O  O16  1  0.894  0.950  0.281  1.0
  O  O17  1  0.357  0.773  0.439  1.0
  O  O18  1  0.651  0.231  0.550  1.0
  O  O19  1  0.643  0.560  0.227  1.0
  O  O20  1  0.104  0.052  0.720  1.0
  O  O21  1  0.106  0.383  0.385  1.0
  O  O22  1  0.651  0.882  0.898  1.0
  O  O23  1  0.106  0.717  0.051  1.0
[/CIF]
.
The material described by Li7Mn4CoO12 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the second Li site, Li(2) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. Co(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with two equivalent O(2)Li3Mn2Co octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with three equivalent O(3)Li4Mn2 octahedra, and edges with three equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(2), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(2)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(5)Li3Mn2Co octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with three equivalent O(6)Li3Mn2Co octahedra, and edges with three equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(3), one Li(4), two equivalent Li(1), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(2)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with three equivalent O(5)Li3Mn2Co octahedra, and edges with three equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), two equivalent Li(2), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(5)Li3Mn2Co octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(6)Li3Mn2Co octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with three equivalent O(2)Li3Mn2Co octahedra, and edges with three equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fifth O site, O(5) is bonded to one Li(3), two equivalent Li(1), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(5)Li3Mn2Co octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(2)Li3Mn2Co octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with three equivalent O(6)Li3Mn2Co octahedra, and edges with three equivalent O(3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), two equivalent Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(2)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li3Mn2Co octahedra,  a cornercorner with one O(1)Li4Mn2 octahedra,  a cornercorner with one O(3)Li4Mn2 octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(6)Li3Mn2Co octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, edges with three equivalent O(2)Li3Mn2Co octahedra, and edges with three equivalent O(5)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Mn4CoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.181
_cell_length_b   6.477
_cell_length_c   6.511
_cell_angle_alpha   82.920
_cell_angle_beta   96.350
_cell_angle_gamma   96.204
_symmetry_Int_Tables_number   1
_cell_volume   214.511
_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  0.758  0.255  0.252  1.0
  Li  Li1  1  0.758  0.582  0.924  1.0
  Li  Li2  1  0.242  0.078  0.415  1.0
  Li  Li3  1  0.247  0.408  0.071  1.0
  Li  Li4  1  0.753  0.926  0.596  1.0
  Li  Li5  1  0.242  0.751  0.743  1.0
  Li  Li6  1  0.500  0.167  0.833  1.0
  Mn  Mn7  1  0.000  0.999  0.000  1.0
  Mn  Mn8  1  0.000  0.334  0.666  1.0
  Mn  Mn9  1  0.500  0.837  0.163  1.0
  Mn  Mn10  1  0.500  0.497  0.504  1.0
  Co  Co11  1  0.000  0.667  0.333  1.0
  O  O12  1  0.896  0.281  0.947  1.0
  O  O13  1  0.894  0.616  0.615  1.0
  O  O14  1  0.349  0.102  0.117  1.0
  O  O15  1  0.349  0.451  0.769  1.0
  O  O16  1  0.894  0.950  0.281  1.0
  O  O17  1  0.357  0.773  0.439  1.0
  O  O18  1  0.651  0.231  0.550  1.0
  O  O19  1  0.643  0.560  0.227  1.0
  O  O20  1  0.104  0.052  0.720  1.0
  O  O21  1  0.106  0.383  0.385  1.0
  O  O22  1  0.651  0.882  0.898  1.0
  O  O23  1  0.106  0.717  0.051  1.0
[/CIF]
.