The crystal structure described by Li5FeP3O11 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(5), one O(7), one O(8), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with three equivalent Li(4)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 43°. In the third Li site, Li(3) is bonded to one O(11), one O(4), one O(5), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with three equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(4), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids 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, corners with three equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(3), one O(6), one O(7), and two equivalent O(10) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to two equivalent O(11), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 55-65°. In the second P site, P(2) is bonded to one O(1), one O(10), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid, corners with three equivalent Li(1)O5 trigonal bipyramids,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 63°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Fe(1), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(4)Li3P tetrahedra,  a cornercorner with one O(1)Li2FeP trigonal pyramid,  a cornercorner with one O(3)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid, corners with three equivalent O(9)Li3P trigonal pyramids,  an edgeedge with one O(4)Li3P tetrahedra, and  an edgeedge with one O(3)Li2FeP trigonal pyramid. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded to one Li(4), one Li(5), one Fe(1), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(4)Li3P tetrahedra,  a cornercorner with one O(1)Li2FeP trigonal pyramid,  a cornercorner with one O(3)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid,  a cornercorner with one O(9)Li3P trigonal pyramid,  an edgeedge with one O(1)Li2FeP trigonal pyramid, and  an edgeedge with one O(7)Li2FeP trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(4), and one P(2) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(11)Li2FeP tetrahedra,  a cornercorner with one O(1)Li2FeP trigonal pyramid,  a cornercorner with one O(3)Li2FeP trigonal pyramid, corners with two equivalent O(8)Li3P trigonal pyramids, corners with three equivalent O(9)Li3P trigonal pyramids, and  an edgeedge with one O(1)Li2FeP trigonal pyramid. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(2), and one P(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Fe(2), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(11)Li2FeP tetrahedra,  a cornercorner with one O(7)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid,  a cornercorner with one O(9)Li3P trigonal pyramid,  an edgeedge with one O(11)Li2FeP tetrahedra, and  an edgeedge with one O(3)Li2FeP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), and one P(3) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(11)Li2FeP tetrahedra, corners with two equivalent O(4)Li3P tetrahedra,  a cornercorner with one O(1)Li2FeP trigonal pyramid,  a cornercorner with one O(3)Li2FeP trigonal pyramid,  a cornercorner with one O(7)Li2FeP trigonal pyramid,  an edgeedge with one O(11)Li2FeP tetrahedra, and  an edgeedge with one O(9)Li3P trigonal pyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(4), and one P(2) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(11)Li2FeP tetrahedra, corners with three equivalent O(4)Li3P tetrahedra,  a cornercorner with one O(3)Li2FeP trigonal pyramid,  a cornercorner with one O(7)Li2FeP trigonal pyramid, corners with three equivalent O(1)Li2FeP trigonal pyramids, and  an edgeedge with one O(8)Li3P trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(5), one Fe(1), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Fe(2), and one P(3) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(11)Li2FeP tetrahedra,  a cornercorner with one O(4)Li3P tetrahedra,  a cornercorner with one O(7)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid,  a cornercorner with one O(9)Li3P trigonal pyramid,  an edgeedge with one O(7)Li2FeP trigonal pyramid, and  an edgeedge with one O(8)Li3P trigonal pyramid. is represented by the CIF file [CIF]
data_Li5FeP3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   8.526
_cell_length_c   9.620
_cell_angle_alpha   84.214
_cell_angle_beta   88.704
_cell_angle_gamma   85.402
_symmetry_Int_Tables_number   1
_cell_volume   436.321
_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  0.780  0.670  0.657  1.0
  Li  Li1  1  0.710  0.376  0.168  1.0
  Li  Li2  1  0.674  0.614  0.319  1.0
  Li  Li3  1  0.828  0.384  0.845  1.0
  Li  Li4  1  0.497  0.997  0.156  1.0
  Li  Li5  1  0.503  0.003  0.844  1.0
  Li  Li6  1  0.172  0.616  0.155  1.0
  Li  Li7  1  0.326  0.386  0.681  1.0
  Li  Li8  1  0.290  0.624  0.832  1.0
  Li  Li9  1  0.220  0.330  0.343  1.0
  Fe  Fe10  1  0.000  0.000  0.000  1.0
  Fe  Fe11  1  0.500  0.000  0.500  1.0
  P  P12  1  0.965  0.043  0.686  1.0
  P  P13  1  0.783  0.703  0.985  1.0
  P  P14  1  0.729  0.327  0.524  1.0
  P  P15  1  0.271  0.673  0.476  1.0
  P  P16  1  0.217  0.297  0.015  1.0
  P  P17  1  0.035  0.957  0.314  1.0
  O  O18  1  0.055  0.746  0.940  1.0
  O  O19  1  0.950  0.190  0.565  1.0
  O  O20  1  0.876  0.119  0.820  1.0
  O  O21  1  0.797  0.599  0.127  1.0
  O  O22  1  0.820  0.401  0.382  1.0
  O  O23  1  0.759  0.016  0.314  1.0
  O  O24  1  0.773  0.928  0.656  1.0
  O  O25  1  0.706  0.433  0.644  1.0
  O  O26  1  0.663  0.619  0.871  1.0
  O  O27  1  0.640  0.866  0.007  1.0
  O  O28  1  0.521  0.751  0.482  1.0
  O  O29  1  0.479  0.249  0.518  1.0
  O  O30  1  0.360  0.134  0.993  1.0
  O  O31  1  0.337  0.381  0.129  1.0
  O  O32  1  0.294  0.567  0.356  1.0
  O  O33  1  0.227  0.072  0.344  1.0
  O  O34  1  0.241  0.984  0.686  1.0
  O  O35  1  0.180  0.599  0.618  1.0
  O  O36  1  0.203  0.401  0.873  1.0
  O  O37  1  0.124  0.881  0.180  1.0
  O  O38  1  0.050  0.810  0.435  1.0
  O  O39  1  0.945  0.254  0.060  1.0
[/CIF]
.
The crystal structure described by Li5FeP3O11 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(5), one O(7), one O(8), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with three equivalent Li(4)O5 trigonal bipyramids, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 43°. In the third Li site, Li(3) is bonded to one O(11), one O(4), one O(5), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with three equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(4), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids 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, corners with three equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(3), one O(6), one O(7), and two equivalent O(10) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(10), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to two equivalent O(11), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O4 trigonal pyramids, and edges with two equivalent Li(1)O5 trigonal bipyramids. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 55-65°. In the second P site, P(2) is bonded to one O(1), one O(10), one O(4), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Li(2)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid, corners with three equivalent Li(1)O5 trigonal bipyramids,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 63°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Fe(1), and one P(2) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(4)Li3P tetrahedra,  a cornercorner with one O(1)Li2FeP trigonal pyramid,  a cornercorner with one O(3)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid, corners with three equivalent O(9)Li3P trigonal pyramids,  an edgeedge with one O(4)Li3P tetrahedra, and  an edgeedge with one O(3)Li2FeP trigonal pyramid. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded to one Li(4), one Li(5), one Fe(1), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(4)Li3P tetrahedra,  a cornercorner with one O(1)Li2FeP trigonal pyramid,  a cornercorner with one O(3)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid,  a cornercorner with one O(9)Li3P trigonal pyramid,  an edgeedge with one O(1)Li2FeP trigonal pyramid, and  an edgeedge with one O(7)Li2FeP trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(4), and one P(2) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(11)Li2FeP tetrahedra,  a cornercorner with one O(1)Li2FeP trigonal pyramid,  a cornercorner with one O(3)Li2FeP trigonal pyramid, corners with two equivalent O(8)Li3P trigonal pyramids, corners with three equivalent O(9)Li3P trigonal pyramids, and  an edgeedge with one O(1)Li2FeP trigonal pyramid. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(5), one Fe(2), and one P(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Fe(2), and one P(1) atom to form distorted OLi2FeP trigonal pyramids that share  a cornercorner with one O(11)Li2FeP tetrahedra,  a cornercorner with one O(7)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid,  a cornercorner with one O(9)Li3P trigonal pyramid,  an edgeedge with one O(11)Li2FeP tetrahedra, and  an edgeedge with one O(3)Li2FeP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), and one P(3) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(11)Li2FeP tetrahedra, corners with two equivalent O(4)Li3P tetrahedra,  a cornercorner with one O(1)Li2FeP trigonal pyramid,  a cornercorner with one O(3)Li2FeP trigonal pyramid,  a cornercorner with one O(7)Li2FeP trigonal pyramid,  an edgeedge with one O(11)Li2FeP tetrahedra, and  an edgeedge with one O(9)Li3P trigonal pyramid. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(4), and one P(2) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(11)Li2FeP tetrahedra, corners with three equivalent O(4)Li3P tetrahedra,  a cornercorner with one O(3)Li2FeP trigonal pyramid,  a cornercorner with one O(7)Li2FeP trigonal pyramid, corners with three equivalent O(1)Li2FeP trigonal pyramids, and  an edgeedge with one O(8)Li3P trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(5), one Fe(1), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Fe(2), and one P(3) atom to form distorted OLi2FeP tetrahedra that share  a cornercorner with one O(11)Li2FeP tetrahedra,  a cornercorner with one O(4)Li3P tetrahedra,  a cornercorner with one O(7)Li2FeP trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid,  a cornercorner with one O(9)Li3P trigonal pyramid,  an edgeedge with one O(7)Li2FeP trigonal pyramid, and  an edgeedge with one O(8)Li3P trigonal pyramid. is represented by the CIF file [CIF]
data_Li5FeP3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   8.526
_cell_length_c   9.620
_cell_angle_alpha   84.214
_cell_angle_beta   88.704
_cell_angle_gamma   85.402
_symmetry_Int_Tables_number   1
_cell_volume   436.321
_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  0.780  0.670  0.657  1.0
  Li  Li1  1  0.710  0.376  0.168  1.0
  Li  Li2  1  0.674  0.614  0.319  1.0
  Li  Li3  1  0.828  0.384  0.845  1.0
  Li  Li4  1  0.497  0.997  0.156  1.0
  Li  Li5  1  0.503  0.003  0.844  1.0
  Li  Li6  1  0.172  0.616  0.155  1.0
  Li  Li7  1  0.326  0.386  0.681  1.0
  Li  Li8  1  0.290  0.624  0.832  1.0
  Li  Li9  1  0.220  0.330  0.343  1.0
  Fe  Fe10  1  0.000  0.000  0.000  1.0
  Fe  Fe11  1  0.500  0.000  0.500  1.0
  P  P12  1  0.965  0.043  0.686  1.0
  P  P13  1  0.783  0.703  0.985  1.0
  P  P14  1  0.729  0.327  0.524  1.0
  P  P15  1  0.271  0.673  0.476  1.0
  P  P16  1  0.217  0.297  0.015  1.0
  P  P17  1  0.035  0.957  0.314  1.0
  O  O18  1  0.055  0.746  0.940  1.0
  O  O19  1  0.950  0.190  0.565  1.0
  O  O20  1  0.876  0.119  0.820  1.0
  O  O21  1  0.797  0.599  0.127  1.0
  O  O22  1  0.820  0.401  0.382  1.0
  O  O23  1  0.759  0.016  0.314  1.0
  O  O24  1  0.773  0.928  0.656  1.0
  O  O25  1  0.706  0.433  0.644  1.0
  O  O26  1  0.663  0.619  0.871  1.0
  O  O27  1  0.640  0.866  0.007  1.0
  O  O28  1  0.521  0.751  0.482  1.0
  O  O29  1  0.479  0.249  0.518  1.0
  O  O30  1  0.360  0.134  0.993  1.0
  O  O31  1  0.337  0.381  0.129  1.0
  O  O32  1  0.294  0.567  0.356  1.0
  O  O33  1  0.227  0.072  0.344  1.0
  O  O34  1  0.241  0.984  0.686  1.0
  O  O35  1  0.180  0.599  0.618  1.0
  O  O36  1  0.203  0.401  0.873  1.0
  O  O37  1  0.124  0.881  0.180  1.0
  O  O38  1  0.050  0.810  0.435  1.0
  O  O39  1  0.945  0.254  0.060  1.0
[/CIF]
.