The structure described by Li3MnAl2O6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(6), and two equivalent O(4) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Al(1)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid, and  an edgeedge with one Al(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Al(1)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with four equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Mn(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Al(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid, and  an edgeedge with one Al(2)O5 trigonal bipyramid. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Al(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Al(2)O5 trigonal bipyramids. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with four equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Al(2)O5 trigonal bipyramids. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Mn(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), one Al(1), and one Al(2) atom to form OLi2MnAl2 trigonal bipyramids that share  a cornercorner with one O(6)Li2MnAl2 trigonal bipyramid,  a cornercorner with one O(3)Li4Al trigonal bipyramid, corners with two equivalent O(4)Li3MnAl trigonal bipyramids, corners with four equivalent O(5)Li2MnAl2 trigonal bipyramids,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(2)Li2MnAl2 trigonal bipyramids, and edges with two equivalent O(6)Li2MnAl2 trigonal bipyramids. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Mn(1), one Al(1), and one Al(2) atom to form OLi2MnAl2 trigonal bipyramids that share  a cornercorner with one O(5)Li2MnAl2 trigonal bipyramid,  a cornercorner with one O(4)Li3MnAl trigonal bipyramid, corners with two equivalent O(3)Li4Al trigonal bipyramids, corners with four equivalent O(6)Li2MnAl2 trigonal bipyramids,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(1)Li2MnAl2 trigonal bipyramids, and edges with two equivalent O(5)Li2MnAl2 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), two equivalent Li(3), and one Al(1) atom to form OLi4Al trigonal bipyramids that share  a cornercorner with one O(1)Li2MnAl2 trigonal bipyramid,  a cornercorner with one O(6)Li2MnAl2 trigonal bipyramid, corners with two equivalent O(2)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(5)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(4)Li3MnAl trigonal bipyramids,  an edgeedge with one O(1)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(2)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(5)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(6)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid, and  an edgeedge with one O(3)Li4Al trigonal bipyramid. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), one Mn(1), and one Al(2) atom to form OLi3MnAl trigonal bipyramids that share  a cornercorner with one O(2)Li2MnAl2 trigonal bipyramid,  a cornercorner with one O(5)Li2MnAl2 trigonal bipyramid, corners with two equivalent O(1)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(6)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(3)Li4Al trigonal bipyramids,  an edgeedge with one O(1)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(2)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(5)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(6)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid, and  an edgeedge with one O(3)Li4Al trigonal bipyramid. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Mn(1), one Al(1), and one Al(2) atom to form OLi2MnAl2 trigonal bipyramids that share  a cornercorner with one O(2)Li2MnAl2 trigonal bipyramid,  a cornercorner with one O(4)Li3MnAl trigonal bipyramid, corners with two equivalent O(3)Li4Al trigonal bipyramids, corners with four equivalent O(1)Li2MnAl2 trigonal bipyramids,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(2)Li2MnAl2 trigonal bipyramids, and edges with two equivalent O(6)Li2MnAl2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), one Al(1), and one Al(2) atom to form OLi2MnAl2 trigonal bipyramids that share  a cornercorner with one O(1)Li2MnAl2 trigonal bipyramid,  a cornercorner with one O(3)Li4Al trigonal bipyramid, corners with two equivalent O(4)Li3MnAl trigonal bipyramids, corners with four equivalent O(2)Li2MnAl2 trigonal bipyramids,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(1)Li2MnAl2 trigonal bipyramids, and edges with two equivalent O(5)Li2MnAl2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Li3MnAl2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.331
_cell_length_b   5.923
_cell_length_c   9.914
_cell_angle_alpha   53.650
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.643
_cell_formula_units_Z   4
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  0.502  0.214  0.135  1.0
  Li  Li1  1  0.848  0.189  0.125  1.0
  Li  Li2  1  0.496  0.739  0.618  1.0
  Li  Li3  1  0.348  0.811  0.375  1.0
  Li  Li4  1  0.996  0.261  0.882  1.0
  Li  Li5  1  0.002  0.786  0.365  1.0
  Li  Li6  1  0.998  0.214  0.635  1.0
  Li  Li7  1  0.004  0.739  0.118  1.0
  Li  Li8  1  0.652  0.189  0.625  1.0
  Li  Li9  1  0.504  0.261  0.382  1.0
  Li  Li10  1  0.152  0.811  0.875  1.0
  Li  Li11  1  0.498  0.786  0.865  1.0
  Mn  Mn12  1  0.166  0.710  0.627  1.0
  Mn  Mn13  1  0.666  0.290  0.873  1.0
  Mn  Mn14  1  0.334  0.710  0.127  1.0
  Mn  Mn15  1  0.834  0.290  0.373  1.0
  Al  Al16  1  0.165  0.217  0.116  1.0
  Al  Al17  1  0.842  0.702  0.626  1.0
  Al  Al18  1  0.665  0.783  0.384  1.0
  Al  Al19  1  0.342  0.298  0.874  1.0
  Al  Al20  1  0.658  0.702  0.126  1.0
  Al  Al21  1  0.335  0.217  0.616  1.0
  Al  Al22  1  0.158  0.298  0.374  1.0
  Al  Al23  1  0.835  0.783  0.884  1.0
  O  O24  1  0.171  0.978  0.386  1.0
  O  O25  1  0.829  0.499  0.863  1.0
  O  O26  1  0.521  0.936  0.377  1.0
  O  O27  1  0.496  0.436  0.872  1.0
  O  O28  1  0.190  0.470  0.869  1.0
  O  O29  1  0.819  0.929  0.386  1.0
  O  O30  1  0.319  0.071  0.114  1.0
  O  O31  1  0.690  0.530  0.631  1.0
  O  O32  1  0.996  0.564  0.628  1.0
  O  O33  1  0.021  0.064  0.123  1.0
  O  O34  1  0.671  0.022  0.114  1.0
  O  O35  1  0.329  0.501  0.637  1.0
  O  O36  1  0.671  0.499  0.363  1.0
  O  O37  1  0.329  0.978  0.886  1.0
  O  O38  1  0.979  0.936  0.877  1.0
  O  O39  1  0.004  0.436  0.372  1.0
  O  O40  1  0.310  0.470  0.369  1.0
  O  O41  1  0.681  0.929  0.886  1.0
  O  O42  1  0.181  0.071  0.614  1.0
  O  O43  1  0.810  0.530  0.131  1.0
  O  O44  1  0.504  0.564  0.128  1.0
  O  O45  1  0.479  0.064  0.623  1.0
  O  O46  1  0.171  0.501  0.137  1.0
  O  O47  1  0.829  0.022  0.614  1.0
[/CIF]
.
The structure described by Li3MnAl2O6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(6), and two equivalent O(4) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Al(1)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid, and  an edgeedge with one Al(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Al(1)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with four equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Mn(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Al(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid, and  an edgeedge with one Al(2)O5 trigonal bipyramid. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Al(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Al(2)O5 trigonal bipyramids. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with four equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Al(2)O5 trigonal bipyramids. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Mn(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), one Al(1), and one Al(2) atom to form OLi2MnAl2 trigonal bipyramids that share  a cornercorner with one O(6)Li2MnAl2 trigonal bipyramid,  a cornercorner with one O(3)Li4Al trigonal bipyramid, corners with two equivalent O(4)Li3MnAl trigonal bipyramids, corners with four equivalent O(5)Li2MnAl2 trigonal bipyramids,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(2)Li2MnAl2 trigonal bipyramids, and edges with two equivalent O(6)Li2MnAl2 trigonal bipyramids. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Mn(1), one Al(1), and one Al(2) atom to form OLi2MnAl2 trigonal bipyramids that share  a cornercorner with one O(5)Li2MnAl2 trigonal bipyramid,  a cornercorner with one O(4)Li3MnAl trigonal bipyramid, corners with two equivalent O(3)Li4Al trigonal bipyramids, corners with four equivalent O(6)Li2MnAl2 trigonal bipyramids,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(1)Li2MnAl2 trigonal bipyramids, and edges with two equivalent O(5)Li2MnAl2 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), two equivalent Li(3), and one Al(1) atom to form OLi4Al trigonal bipyramids that share  a cornercorner with one O(1)Li2MnAl2 trigonal bipyramid,  a cornercorner with one O(6)Li2MnAl2 trigonal bipyramid, corners with two equivalent O(2)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(5)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(4)Li3MnAl trigonal bipyramids,  an edgeedge with one O(1)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(2)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(5)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(6)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid, and  an edgeedge with one O(3)Li4Al trigonal bipyramid. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), one Mn(1), and one Al(2) atom to form OLi3MnAl trigonal bipyramids that share  a cornercorner with one O(2)Li2MnAl2 trigonal bipyramid,  a cornercorner with one O(5)Li2MnAl2 trigonal bipyramid, corners with two equivalent O(1)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(6)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(3)Li4Al trigonal bipyramids,  an edgeedge with one O(1)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(2)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(5)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(6)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid, and  an edgeedge with one O(3)Li4Al trigonal bipyramid. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Mn(1), one Al(1), and one Al(2) atom to form OLi2MnAl2 trigonal bipyramids that share  a cornercorner with one O(2)Li2MnAl2 trigonal bipyramid,  a cornercorner with one O(4)Li3MnAl trigonal bipyramid, corners with two equivalent O(3)Li4Al trigonal bipyramids, corners with four equivalent O(1)Li2MnAl2 trigonal bipyramids,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(2)Li2MnAl2 trigonal bipyramids, and edges with two equivalent O(6)Li2MnAl2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), one Al(1), and one Al(2) atom to form OLi2MnAl2 trigonal bipyramids that share  a cornercorner with one O(1)Li2MnAl2 trigonal bipyramid,  a cornercorner with one O(3)Li4Al trigonal bipyramid, corners with two equivalent O(4)Li3MnAl trigonal bipyramids, corners with four equivalent O(2)Li2MnAl2 trigonal bipyramids,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid,  an edgeedge with one O(3)Li4Al trigonal bipyramid, edges with two equivalent O(1)Li2MnAl2 trigonal bipyramids, and edges with two equivalent O(5)Li2MnAl2 trigonal bipyramids. is represented by the CIF file [CIF]
data_Li3MnAl2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.331
_cell_length_b   5.923
_cell_length_c   9.914
_cell_angle_alpha   53.650
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   488.643
_cell_formula_units_Z   4
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  0.502  0.214  0.135  1.0
  Li  Li1  1  0.848  0.189  0.125  1.0
  Li  Li2  1  0.496  0.739  0.618  1.0
  Li  Li3  1  0.348  0.811  0.375  1.0
  Li  Li4  1  0.996  0.261  0.882  1.0
  Li  Li5  1  0.002  0.786  0.365  1.0
  Li  Li6  1  0.998  0.214  0.635  1.0
  Li  Li7  1  0.004  0.739  0.118  1.0
  Li  Li8  1  0.652  0.189  0.625  1.0
  Li  Li9  1  0.504  0.261  0.382  1.0
  Li  Li10  1  0.152  0.811  0.875  1.0
  Li  Li11  1  0.498  0.786  0.865  1.0
  Mn  Mn12  1  0.166  0.710  0.627  1.0
  Mn  Mn13  1  0.666  0.290  0.873  1.0
  Mn  Mn14  1  0.334  0.710  0.127  1.0
  Mn  Mn15  1  0.834  0.290  0.373  1.0
  Al  Al16  1  0.165  0.217  0.116  1.0
  Al  Al17  1  0.842  0.702  0.626  1.0
  Al  Al18  1  0.665  0.783  0.384  1.0
  Al  Al19  1  0.342  0.298  0.874  1.0
  Al  Al20  1  0.658  0.702  0.126  1.0
  Al  Al21  1  0.335  0.217  0.616  1.0
  Al  Al22  1  0.158  0.298  0.374  1.0
  Al  Al23  1  0.835  0.783  0.884  1.0
  O  O24  1  0.171  0.978  0.386  1.0
  O  O25  1  0.829  0.499  0.863  1.0
  O  O26  1  0.521  0.936  0.377  1.0
  O  O27  1  0.496  0.436  0.872  1.0
  O  O28  1  0.190  0.470  0.869  1.0
  O  O29  1  0.819  0.929  0.386  1.0
  O  O30  1  0.319  0.071  0.114  1.0
  O  O31  1  0.690  0.530  0.631  1.0
  O  O32  1  0.996  0.564  0.628  1.0
  O  O33  1  0.021  0.064  0.123  1.0
  O  O34  1  0.671  0.022  0.114  1.0
  O  O35  1  0.329  0.501  0.637  1.0
  O  O36  1  0.671  0.499  0.363  1.0
  O  O37  1  0.329  0.978  0.886  1.0
  O  O38  1  0.979  0.936  0.877  1.0
  O  O39  1  0.004  0.436  0.372  1.0
  O  O40  1  0.310  0.470  0.369  1.0
  O  O41  1  0.681  0.929  0.886  1.0
  O  O42  1  0.181  0.071  0.614  1.0
  O  O43  1  0.810  0.530  0.131  1.0
  O  O44  1  0.504  0.564  0.128  1.0
  O  O45  1  0.479  0.064  0.623  1.0
  O  O46  1  0.171  0.501  0.137  1.0
  O  O47  1  0.829  0.022  0.614  1.0
[/CIF]
.