The structure described by Li6MnSb3(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(14), one O(19), one O(4), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(16), one O(17), one O(20), one O(5), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(5)O5 square pyramid,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(11), one O(16), one O(21), one O(22), and one O(6) atom. In the fifth Li site, Li(5) is bonded to one O(13), one O(18), one O(20), one O(22), and one O(23) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the sixth Li site, Li(6) is bonded to one O(11), one O(15), one O(17), one O(18), and one O(24) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 70°. Mn(1) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(15), one O(18), one O(22), and one O(6) atom. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(10), one O(12), one O(14), one O(19), one O(3), and one O(7) atom to form distorted SbO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(21), one O(23), and one O(24) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  a cornercorner with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 40-41°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  a cornercorner with one Li(5)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-40°. In the third P site, P(3) is bonded to one O(14), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Li(5)O5 square pyramid, and  a cornercorner with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-44°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  a cornercorner with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 29-44°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 14-36°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  an edgeedge with one Li(5)O5 square pyramid. The corner-sharing octahedral tilt angles range from 42-44°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sb(2) and one P(6) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sb(2) and one P(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(2), one Sb(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Sb(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), one Sb(2), and one P(2) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Sb(2), and one P(3) atom to form a mixture of distorted edge and corner-sharing OLi2SbP trigonal pyramids. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(6), one Mn(1), and one P(4) atom to form distorted OLi3MnP trigonal bipyramids that share  a cornercorner with one O(14)Li2SbP trigonal pyramid,  an edgeedge with one O(16)Li2SbP trigonal pyramid,  a faceface with one O(18)Li3MnP trigonal bipyramid, and  a faceface with one O(22)Li3MnP trigonal bipyramid. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Sb(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(5), one Mn(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one Sb(1), and one P(3) atom to form distorted OLi2SbP trigonal pyramids that share  a cornercorner with one O(11)Li3MnP trigonal bipyramid,  a cornercorner with one O(18)Li3MnP trigonal bipyramid,  a cornercorner with one O(22)Li3MnP trigonal bipyramid, and  an edgeedge with one O(9)Li2SbP trigonal pyramid. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(6), one Mn(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(4), one Sb(3), and one P(4) atom to form distorted OLi2SbP trigonal pyramids that share  a cornercorner with one O(22)Li3MnP trigonal bipyramid,  a cornercorner with one O(9)Li2SbP trigonal pyramid, and  an edgeedge with one O(11)Li3MnP trigonal bipyramid. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one Sb(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(5), one Li(6), one Mn(1), and one P(5) atom to form distorted OLi3MnP trigonal bipyramids that share  a cornercorner with one O(14)Li2SbP trigonal pyramid,  a faceface with one O(11)Li3MnP trigonal bipyramid, and  a faceface with one O(22)Li3MnP trigonal bipyramid. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one Sb(1), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Sb(3), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Li(4), one Sb(3), and one P(2) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(4), one Li(5), one Mn(1), and one P(6) atom to form distorted OLi3MnP trigonal bipyramids that share  a cornercorner with one O(14)Li2SbP trigonal pyramid,  a cornercorner with one O(16)Li2SbP trigonal pyramid,  a faceface with one O(11)Li3MnP trigonal bipyramid, and  a faceface with one O(18)Li3MnP trigonal bipyramid. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Sb(3), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(6), one Sb(3), and one P(1) atom. is represented by the CIF card [CIF]
data_Li6MnSb3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.507
_cell_length_b   8.513
_cell_length_c   8.547
_cell_angle_alpha   65.710
_cell_angle_beta   66.062
_cell_angle_gamma   66.051
_symmetry_Int_Tables_number   1
_cell_volume   493.961
_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  0.987  0.019  0.007  1.0
  Li  Li1  1  0.241  0.634  0.853  1.0
  Li  Li2  1  0.519  0.486  0.500  1.0
  Li  Li3  1  0.794  0.345  0.122  1.0
  Li  Li4  1  0.332  0.113  0.806  1.0
  Li  Li5  1  0.126  0.800  0.333  1.0
  Mn  Mn6  1  0.161  0.167  0.162  1.0
  Sb  Sb7  1  0.843  0.853  0.844  1.0
  Sb  Sb8  1  0.654  0.655  0.643  1.0
  Sb  Sb9  1  0.348  0.349  0.347  1.0
  P  P10  1  0.922  0.586  0.252  1.0
  P  P11  1  0.585  0.255  0.923  1.0
  P  P12  1  0.250  0.931  0.579  1.0
  P  P13  1  0.744  0.068  0.420  1.0
  P  P14  1  0.414  0.736  0.065  1.0
  P  P15  1  0.079  0.429  0.743  1.0
  O  O16  1  0.929  0.469  0.666  1.0
  O  O17  1  0.674  0.925  0.429  1.0
  O  O18  1  0.899  0.762  0.088  1.0
  O  O19  1  0.392  0.656  0.948  1.0
  O  O20  1  0.738  0.591  0.404  1.0
  O  O21  1  0.970  0.419  0.194  1.0
  O  O22  1  0.758  0.088  0.904  1.0
  O  O23  1  0.592  0.402  0.735  1.0
  O  O24  1  0.392  0.739  0.595  1.0
  O  O25  1  0.786  0.033  0.594  1.0
  O  O26  1  0.911  0.082  0.253  1.0
  O  O27  1  0.602  0.766  0.996  1.0
  O  O28  1  0.413  0.201  0.979  1.0
  O  O29  1  0.092  0.905  0.761  1.0
  O  O30  1  0.188  0.983  0.415  1.0
  O  O31  1  0.603  0.264  0.394  1.0
  O  O32  1  0.398  0.604  0.265  1.0
  O  O33  1  0.260  0.914  0.076  1.0
  O  O34  1  0.063  0.587  0.800  1.0
  O  O35  1  0.271  0.397  0.599  1.0
  O  O36  1  0.602  0.317  0.059  1.0
  O  O37  1  0.081  0.255  0.904  1.0
  O  O38  1  0.318  0.070  0.585  1.0
  O  O39  1  0.067  0.594  0.309  1.0
[/CIF]
.
The structure described by Li6MnSb3(PO4)6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(14), one O(19), one O(4), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(16), one O(17), one O(20), one O(5), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(5)O5 square pyramid,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(11), one O(16), one O(21), one O(22), and one O(6) atom. In the fifth Li site, Li(5) is bonded to one O(13), one O(18), one O(20), one O(22), and one O(23) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. In the sixth Li site, Li(6) is bonded to one O(11), one O(15), one O(17), one O(18), and one O(24) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 70°. Mn(1) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(15), one O(18), one O(22), and one O(6) atom. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(10), one O(12), one O(14), one O(19), one O(3), and one O(7) atom to form distorted SbO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(21), one O(23), and one O(24) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  a cornercorner with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 40-41°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  a cornercorner with one Li(5)O5 square pyramid. The corner-sharing octahedral tilt angles range from 37-40°. In the third P site, P(3) is bonded to one O(14), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Li(5)O5 square pyramid, and  a cornercorner with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-44°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  a cornercorner with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 29-44°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 14-36°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra, and  an edgeedge with one Li(5)O5 square pyramid. The corner-sharing octahedral tilt angles range from 42-44°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sb(2) and one P(6) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sb(2) and one P(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Li(2), one Sb(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(3), one Sb(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), one Sb(2), and one P(2) atom. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Sb(2), and one P(3) atom to form a mixture of distorted edge and corner-sharing OLi2SbP trigonal pyramids. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(4) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), one Li(6), one Mn(1), and one P(4) atom to form distorted OLi3MnP trigonal bipyramids that share  a cornercorner with one O(14)Li2SbP trigonal pyramid,  an edgeedge with one O(16)Li2SbP trigonal pyramid,  a faceface with one O(18)Li3MnP trigonal bipyramid, and  a faceface with one O(22)Li3MnP trigonal bipyramid. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Sb(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(5), one Mn(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Li(2), one Sb(1), and one P(3) atom to form distorted OLi2SbP trigonal pyramids that share  a cornercorner with one O(11)Li3MnP trigonal bipyramid,  a cornercorner with one O(18)Li3MnP trigonal bipyramid,  a cornercorner with one O(22)Li3MnP trigonal bipyramid, and  an edgeedge with one O(9)Li2SbP trigonal pyramid. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(6), one Mn(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(4), one Sb(3), and one P(4) atom to form distorted OLi2SbP trigonal pyramids that share  a cornercorner with one O(22)Li3MnP trigonal bipyramid,  a cornercorner with one O(9)Li2SbP trigonal pyramid, and  an edgeedge with one O(11)Li3MnP trigonal bipyramid. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one Sb(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(5), one Li(6), one Mn(1), and one P(5) atom to form distorted OLi3MnP trigonal bipyramids that share  a cornercorner with one O(14)Li2SbP trigonal pyramid,  a faceface with one O(11)Li3MnP trigonal bipyramid, and  a faceface with one O(22)Li3MnP trigonal bipyramid. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(2), one Sb(1), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one Sb(3), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one Li(4), one Sb(3), and one P(2) atom. In the twenty-second O site, O(22) is bonded to one Li(1), one Li(4), one Li(5), one Mn(1), and one P(6) atom to form distorted OLi3MnP trigonal bipyramids that share  a cornercorner with one O(14)Li2SbP trigonal pyramid,  a cornercorner with one O(16)Li2SbP trigonal pyramid,  a faceface with one O(11)Li3MnP trigonal bipyramid, and  a faceface with one O(18)Li3MnP trigonal bipyramid. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(5), one Sb(3), and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(6), one Sb(3), and one P(1) atom. is represented by the CIF card [CIF]
data_Li6MnSb3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.507
_cell_length_b   8.513
_cell_length_c   8.547
_cell_angle_alpha   65.710
_cell_angle_beta   66.062
_cell_angle_gamma   66.051
_symmetry_Int_Tables_number   1
_cell_volume   493.961
_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  0.987  0.019  0.007  1.0
  Li  Li1  1  0.241  0.634  0.853  1.0
  Li  Li2  1  0.519  0.486  0.500  1.0
  Li  Li3  1  0.794  0.345  0.122  1.0
  Li  Li4  1  0.332  0.113  0.806  1.0
  Li  Li5  1  0.126  0.800  0.333  1.0
  Mn  Mn6  1  0.161  0.167  0.162  1.0
  Sb  Sb7  1  0.843  0.853  0.844  1.0
  Sb  Sb8  1  0.654  0.655  0.643  1.0
  Sb  Sb9  1  0.348  0.349  0.347  1.0
  P  P10  1  0.922  0.586  0.252  1.0
  P  P11  1  0.585  0.255  0.923  1.0
  P  P12  1  0.250  0.931  0.579  1.0
  P  P13  1  0.744  0.068  0.420  1.0
  P  P14  1  0.414  0.736  0.065  1.0
  P  P15  1  0.079  0.429  0.743  1.0
  O  O16  1  0.929  0.469  0.666  1.0
  O  O17  1  0.674  0.925  0.429  1.0
  O  O18  1  0.899  0.762  0.088  1.0
  O  O19  1  0.392  0.656  0.948  1.0
  O  O20  1  0.738  0.591  0.404  1.0
  O  O21  1  0.970  0.419  0.194  1.0
  O  O22  1  0.758  0.088  0.904  1.0
  O  O23  1  0.592  0.402  0.735  1.0
  O  O24  1  0.392  0.739  0.595  1.0
  O  O25  1  0.786  0.033  0.594  1.0
  O  O26  1  0.911  0.082  0.253  1.0
  O  O27  1  0.602  0.766  0.996  1.0
  O  O28  1  0.413  0.201  0.979  1.0
  O  O29  1  0.092  0.905  0.761  1.0
  O  O30  1  0.188  0.983  0.415  1.0
  O  O31  1  0.603  0.264  0.394  1.0
  O  O32  1  0.398  0.604  0.265  1.0
  O  O33  1  0.260  0.914  0.076  1.0
  O  O34  1  0.063  0.587  0.800  1.0
  O  O35  1  0.271  0.397  0.599  1.0
  O  O36  1  0.602  0.317  0.059  1.0
  O  O37  1  0.081  0.255  0.904  1.0
  O  O38  1  0.318  0.070  0.585  1.0
  O  O39  1  0.067  0.594  0.309  1.0
[/CIF]
.