The material structure described by LiY5(MoO6)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(11), one O(3), one O(6), one O(7), and one O(8) atom to form distorted LiO5 square pyramids that share  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, edges with two equivalent Y(5)O7 pentagonal bipyramids, and  a faceface with one Y(1)O6 octahedra. There are five inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(12), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted YO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Y(5)O7 pentagonal bipyramids,  an edgeedge with one Y(5)O7 pentagonal bipyramid, and  a faceface with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 41-47°. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(7), one O(8), and one O(9) atom. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(5), one O(8), and one O(9) atom. In the fourth Y site, Y(4) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(12), one O(5), one O(6), one O(7), and one O(9) atom. In the fifth Y site, Y(5) is bonded to one O(11), one O(12), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted YO7 pentagonal bipyramids that share corners with two equivalent Y(1)O6 octahedra,  an edgeedge with one Y(1)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 48-51°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(4) atom to form MoO6 octahedra that share corners with two equivalent Y(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra,  an edgeedge with one Y(5)O7 pentagonal bipyramid, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 41-45°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent Y(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra,  an edgeedge with one Y(5)O7 pentagonal bipyramid, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Y(2), one Y(4), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded to one Y(3), one Y(5), one Mo(1), and one Mo(2) atom to form distorted OY2Mo2 trigonal pyramids that share corners with two equivalent O(12)Y4 tetrahedra, corners with two equivalent O(5)Y4 tetrahedra,  a cornercorner with one O(11)LiY3Mo trigonal bipyramid,  a cornercorner with one O(8)LiY3Mo trigonal bipyramid,  a cornercorner with one O(6)LiY4 trigonal bipyramid,  a cornercorner with one O(7)LiY4 trigonal bipyramid,  an edgeedge with one O(10)Y3Mo tetrahedra,  an edgeedge with one O(9)Y3Mo tetrahedra,  an edgeedge with one O(11)LiY3Mo trigonal bipyramid, and  an edgeedge with one O(8)LiY3Mo trigonal bipyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Y(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Y(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded to one Y(1), one Y(3), one Y(4), and one Y(5) atom to form OY4 tetrahedra that share corners with two equivalent O(10)Y3Mo tetrahedra, corners with two equivalent O(9)Y3Mo tetrahedra,  a cornercorner with one O(7)LiY4 trigonal bipyramid, corners with two equivalent O(11)LiY3Mo trigonal bipyramids, corners with three equivalent O(6)LiY4 trigonal bipyramids, corners with two equivalent O(2)Y2Mo2 trigonal pyramids, edges with two equivalent O(12)Y4 tetrahedra,  an edgeedge with one O(8)LiY3Mo trigonal bipyramid, and  an edgeedge with one O(7)LiY4 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(1), one Y(1), one Y(2), one Y(4), and one Y(5) atom to form distorted OLiY4 trigonal bipyramids that share  a cornercorner with one O(12)Y4 tetrahedra, corners with two equivalent O(10)Y3Mo tetrahedra, corners with three equivalent O(5)Y4 tetrahedra,  a cornercorner with one O(11)LiY3Mo trigonal bipyramid, corners with three equivalent O(8)LiY3Mo trigonal bipyramids,  a cornercorner with one O(2)Y2Mo2 trigonal pyramid,  an edgeedge with one O(9)Y3Mo tetrahedra,  an edgeedge with one O(12)Y4 tetrahedra,  an edgeedge with one O(11)LiY3Mo trigonal bipyramid,  an edgeedge with one O(7)LiY4 trigonal bipyramid, and  a faceface with one O(7)LiY4 trigonal bipyramid. In the seventh O site, O(7) is bonded to one Li(1), one Y(1), one Y(2), one Y(4), and one Y(5) atom to form distorted OLiY4 trigonal bipyramids that share  a cornercorner with one O(5)Y4 tetrahedra, corners with two equivalent O(9)Y3Mo tetrahedra, corners with three equivalent O(12)Y4 tetrahedra,  a cornercorner with one O(8)LiY3Mo trigonal bipyramid, corners with three equivalent O(11)LiY3Mo trigonal bipyramids,  a cornercorner with one O(2)Y2Mo2 trigonal pyramid,  an edgeedge with one O(10)Y3Mo tetrahedra,  an edgeedge with one O(5)Y4 tetrahedra,  an edgeedge with one O(8)LiY3Mo trigonal bipyramid,  an edgeedge with one O(6)LiY4 trigonal bipyramid, and  a faceface with one O(6)LiY4 trigonal bipyramid. In the eighth O site, O(8) is bonded to one Li(1), one Y(2), one Y(3), one Y(5), and one Mo(2) atom to form distorted OLiY3Mo trigonal bipyramids that share corners with two equivalent O(12)Y4 tetrahedra, corners with three equivalent O(9)Y3Mo tetrahedra,  a cornercorner with one O(7)LiY4 trigonal bipyramid, corners with three equivalent O(6)LiY4 trigonal bipyramids,  a cornercorner with one O(2)Y2Mo2 trigonal pyramid,  an edgeedge with one O(10)Y3Mo tetrahedra,  an edgeedge with one O(5)Y4 tetrahedra,  an edgeedge with one O(7)LiY4 trigonal bipyramid, edges with two equivalent O(11)LiY3Mo trigonal bipyramids, and  an edgeedge with one O(2)Y2Mo2 trigonal pyramid. In the ninth O site, O(9) is bonded to one Y(2), one Y(3), one Y(4), and one Mo(2) atom to form OY3Mo tetrahedra that share  a cornercorner with one O(10)Y3Mo tetrahedra, corners with two equivalent O(12)Y4 tetrahedra, corners with two equivalent O(5)Y4 tetrahedra, corners with two equivalent O(7)LiY4 trigonal bipyramids, corners with three equivalent O(8)LiY3Mo trigonal bipyramids,  an edgeedge with one O(10)Y3Mo tetrahedra,  an edgeedge with one O(11)LiY3Mo trigonal bipyramid,  an edgeedge with one O(6)LiY4 trigonal bipyramid, and  an edgeedge with one O(2)Y2Mo2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Y(2), one Y(3), one Y(4), and one Mo(1) atom to form OY3Mo tetrahedra that share  a cornercorner with one O(9)Y3Mo tetrahedra, corners with two equivalent O(12)Y4 tetrahedra, corners with two equivalent O(5)Y4 tetrahedra, corners with two equivalent O(6)LiY4 trigonal bipyramids, corners with three equivalent O(11)LiY3Mo trigonal bipyramids,  an edgeedge with one O(9)Y3Mo tetrahedra,  an edgeedge with one O(8)LiY3Mo trigonal bipyramid,  an edgeedge with one O(7)LiY4 trigonal bipyramid, and  an edgeedge with one O(2)Y2Mo2 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Li(1), one Y(2), one Y(3), one Y(5), and one Mo(1) atom to form distorted OLiY3Mo trigonal bipyramids that share corners with two equivalent O(5)Y4 tetrahedra, corners with three equivalent O(10)Y3Mo tetrahedra,  a cornercorner with one O(6)LiY4 trigonal bipyramid, corners with three equivalent O(7)LiY4 trigonal bipyramids,  a cornercorner with one O(2)Y2Mo2 trigonal pyramid,  an edgeedge with one O(9)Y3Mo tetrahedra,  an edgeedge with one O(12)Y4 tetrahedra,  an edgeedge with one O(6)LiY4 trigonal bipyramid, edges with two equivalent O(8)LiY3Mo trigonal bipyramids, and  an edgeedge with one O(2)Y2Mo2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Y(1), one Y(3), one Y(4), and one Y(5) atom to form OY4 tetrahedra that share corners with two equivalent O(10)Y3Mo tetrahedra, corners with two equivalent O(9)Y3Mo tetrahedra,  a cornercorner with one O(6)LiY4 trigonal bipyramid, corners with two equivalent O(8)LiY3Mo trigonal bipyramids, corners with three equivalent O(7)LiY4 trigonal bipyramids, corners with two equivalent O(2)Y2Mo2 trigonal pyramids, edges with two equivalent O(5)Y4 tetrahedra,  an edgeedge with one O(11)LiY3Mo trigonal bipyramid, and  an edgeedge with one O(6)LiY4 trigonal bipyramid. is represented by the CIF card [CIF]
data_LiY5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.927
_cell_length_b   7.064
_cell_length_c   7.385
_cell_angle_alpha   105.774
_cell_angle_beta   89.689
_cell_angle_gamma   114.849
_symmetry_Int_Tables_number   1
_cell_volume   267.871
_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  0.639  0.284  0.302  1.0
  Y  Y1  1  0.486  0.982  0.504  1.0
  Y  Y2  1  0.190  0.389  0.826  1.0
  Y  Y3  1  0.814  0.632  0.165  1.0
  Y  Y4  1  0.802  0.613  0.649  1.0
  Y  Y5  1  0.202  0.410  0.360  1.0
  Mo  Mo6  1  0.746  0.000  0.000  1.0
  Mo  Mo7  1  0.260  0.000  0.998  1.0
  O  O8  1  0.006  0.015  0.810  1.0
  O  O9  1  0.003  0.002  0.188  1.0
  O  O10  1  0.503  0.987  0.197  1.0
  O  O11  1  0.507  0.009  0.810  1.0
  O  O12  1  0.599  0.699  0.430  1.0
  O  O13  1  0.902  0.317  0.564  1.0
  O  O14  1  0.414  0.309  0.555  1.0
  O  O15  1  0.423  0.331  0.109  1.0
  O  O16  1  0.074  0.670  0.913  1.0
  O  O17  1  0.589  0.654  0.911  1.0
  O  O18  1  0.923  0.344  0.104  1.0
  O  O19  1  0.097  0.702  0.432  1.0
[/CIF]
.
The material structure described by LiY5(MoO6)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(11), one O(3), one O(6), one O(7), and one O(8) atom to form distorted LiO5 square pyramids that share  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, edges with two equivalent Y(5)O7 pentagonal bipyramids, and  a faceface with one Y(1)O6 octahedra. There are five inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(12), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted YO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Y(5)O7 pentagonal bipyramids,  an edgeedge with one Y(5)O7 pentagonal bipyramid, and  a faceface with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 41-47°. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(7), one O(8), and one O(9) atom. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(5), one O(8), and one O(9) atom. In the fourth Y site, Y(4) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(12), one O(5), one O(6), one O(7), and one O(9) atom. In the fifth Y site, Y(5) is bonded to one O(11), one O(12), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted YO7 pentagonal bipyramids that share corners with two equivalent Y(1)O6 octahedra,  an edgeedge with one Y(1)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 48-51°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(4) atom to form MoO6 octahedra that share corners with two equivalent Y(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra,  an edgeedge with one Y(5)O7 pentagonal bipyramid, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 41-45°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent Y(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra,  an edgeedge with one Y(5)O7 pentagonal bipyramid, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Y(2), one Y(4), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded to one Y(3), one Y(5), one Mo(1), and one Mo(2) atom to form distorted OY2Mo2 trigonal pyramids that share corners with two equivalent O(12)Y4 tetrahedra, corners with two equivalent O(5)Y4 tetrahedra,  a cornercorner with one O(11)LiY3Mo trigonal bipyramid,  a cornercorner with one O(8)LiY3Mo trigonal bipyramid,  a cornercorner with one O(6)LiY4 trigonal bipyramid,  a cornercorner with one O(7)LiY4 trigonal bipyramid,  an edgeedge with one O(10)Y3Mo tetrahedra,  an edgeedge with one O(9)Y3Mo tetrahedra,  an edgeedge with one O(11)LiY3Mo trigonal bipyramid, and  an edgeedge with one O(8)LiY3Mo trigonal bipyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Y(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Y(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded to one Y(1), one Y(3), one Y(4), and one Y(5) atom to form OY4 tetrahedra that share corners with two equivalent O(10)Y3Mo tetrahedra, corners with two equivalent O(9)Y3Mo tetrahedra,  a cornercorner with one O(7)LiY4 trigonal bipyramid, corners with two equivalent O(11)LiY3Mo trigonal bipyramids, corners with three equivalent O(6)LiY4 trigonal bipyramids, corners with two equivalent O(2)Y2Mo2 trigonal pyramids, edges with two equivalent O(12)Y4 tetrahedra,  an edgeedge with one O(8)LiY3Mo trigonal bipyramid, and  an edgeedge with one O(7)LiY4 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Li(1), one Y(1), one Y(2), one Y(4), and one Y(5) atom to form distorted OLiY4 trigonal bipyramids that share  a cornercorner with one O(12)Y4 tetrahedra, corners with two equivalent O(10)Y3Mo tetrahedra, corners with three equivalent O(5)Y4 tetrahedra,  a cornercorner with one O(11)LiY3Mo trigonal bipyramid, corners with three equivalent O(8)LiY3Mo trigonal bipyramids,  a cornercorner with one O(2)Y2Mo2 trigonal pyramid,  an edgeedge with one O(9)Y3Mo tetrahedra,  an edgeedge with one O(12)Y4 tetrahedra,  an edgeedge with one O(11)LiY3Mo trigonal bipyramid,  an edgeedge with one O(7)LiY4 trigonal bipyramid, and  a faceface with one O(7)LiY4 trigonal bipyramid. In the seventh O site, O(7) is bonded to one Li(1), one Y(1), one Y(2), one Y(4), and one Y(5) atom to form distorted OLiY4 trigonal bipyramids that share  a cornercorner with one O(5)Y4 tetrahedra, corners with two equivalent O(9)Y3Mo tetrahedra, corners with three equivalent O(12)Y4 tetrahedra,  a cornercorner with one O(8)LiY3Mo trigonal bipyramid, corners with three equivalent O(11)LiY3Mo trigonal bipyramids,  a cornercorner with one O(2)Y2Mo2 trigonal pyramid,  an edgeedge with one O(10)Y3Mo tetrahedra,  an edgeedge with one O(5)Y4 tetrahedra,  an edgeedge with one O(8)LiY3Mo trigonal bipyramid,  an edgeedge with one O(6)LiY4 trigonal bipyramid, and  a faceface with one O(6)LiY4 trigonal bipyramid. In the eighth O site, O(8) is bonded to one Li(1), one Y(2), one Y(3), one Y(5), and one Mo(2) atom to form distorted OLiY3Mo trigonal bipyramids that share corners with two equivalent O(12)Y4 tetrahedra, corners with three equivalent O(9)Y3Mo tetrahedra,  a cornercorner with one O(7)LiY4 trigonal bipyramid, corners with three equivalent O(6)LiY4 trigonal bipyramids,  a cornercorner with one O(2)Y2Mo2 trigonal pyramid,  an edgeedge with one O(10)Y3Mo tetrahedra,  an edgeedge with one O(5)Y4 tetrahedra,  an edgeedge with one O(7)LiY4 trigonal bipyramid, edges with two equivalent O(11)LiY3Mo trigonal bipyramids, and  an edgeedge with one O(2)Y2Mo2 trigonal pyramid. In the ninth O site, O(9) is bonded to one Y(2), one Y(3), one Y(4), and one Mo(2) atom to form OY3Mo tetrahedra that share  a cornercorner with one O(10)Y3Mo tetrahedra, corners with two equivalent O(12)Y4 tetrahedra, corners with two equivalent O(5)Y4 tetrahedra, corners with two equivalent O(7)LiY4 trigonal bipyramids, corners with three equivalent O(8)LiY3Mo trigonal bipyramids,  an edgeedge with one O(10)Y3Mo tetrahedra,  an edgeedge with one O(11)LiY3Mo trigonal bipyramid,  an edgeedge with one O(6)LiY4 trigonal bipyramid, and  an edgeedge with one O(2)Y2Mo2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Y(2), one Y(3), one Y(4), and one Mo(1) atom to form OY3Mo tetrahedra that share  a cornercorner with one O(9)Y3Mo tetrahedra, corners with two equivalent O(12)Y4 tetrahedra, corners with two equivalent O(5)Y4 tetrahedra, corners with two equivalent O(6)LiY4 trigonal bipyramids, corners with three equivalent O(11)LiY3Mo trigonal bipyramids,  an edgeedge with one O(9)Y3Mo tetrahedra,  an edgeedge with one O(8)LiY3Mo trigonal bipyramid,  an edgeedge with one O(7)LiY4 trigonal bipyramid, and  an edgeedge with one O(2)Y2Mo2 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Li(1), one Y(2), one Y(3), one Y(5), and one Mo(1) atom to form distorted OLiY3Mo trigonal bipyramids that share corners with two equivalent O(5)Y4 tetrahedra, corners with three equivalent O(10)Y3Mo tetrahedra,  a cornercorner with one O(6)LiY4 trigonal bipyramid, corners with three equivalent O(7)LiY4 trigonal bipyramids,  a cornercorner with one O(2)Y2Mo2 trigonal pyramid,  an edgeedge with one O(9)Y3Mo tetrahedra,  an edgeedge with one O(12)Y4 tetrahedra,  an edgeedge with one O(6)LiY4 trigonal bipyramid, edges with two equivalent O(8)LiY3Mo trigonal bipyramids, and  an edgeedge with one O(2)Y2Mo2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Y(1), one Y(3), one Y(4), and one Y(5) atom to form OY4 tetrahedra that share corners with two equivalent O(10)Y3Mo tetrahedra, corners with two equivalent O(9)Y3Mo tetrahedra,  a cornercorner with one O(6)LiY4 trigonal bipyramid, corners with two equivalent O(8)LiY3Mo trigonal bipyramids, corners with three equivalent O(7)LiY4 trigonal bipyramids, corners with two equivalent O(2)Y2Mo2 trigonal pyramids, edges with two equivalent O(5)Y4 tetrahedra,  an edgeedge with one O(11)LiY3Mo trigonal bipyramid, and  an edgeedge with one O(6)LiY4 trigonal bipyramid. is represented by the CIF card [CIF]
data_LiY5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.927
_cell_length_b   7.064
_cell_length_c   7.385
_cell_angle_alpha   105.774
_cell_angle_beta   89.689
_cell_angle_gamma   114.849
_symmetry_Int_Tables_number   1
_cell_volume   267.871
_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  0.639  0.284  0.302  1.0
  Y  Y1  1  0.486  0.982  0.504  1.0
  Y  Y2  1  0.190  0.389  0.826  1.0
  Y  Y3  1  0.814  0.632  0.165  1.0
  Y  Y4  1  0.802  0.613  0.649  1.0
  Y  Y5  1  0.202  0.410  0.360  1.0
  Mo  Mo6  1  0.746  0.000  0.000  1.0
  Mo  Mo7  1  0.260  0.000  0.998  1.0
  O  O8  1  0.006  0.015  0.810  1.0
  O  O9  1  0.003  0.002  0.188  1.0
  O  O10  1  0.503  0.987  0.197  1.0
  O  O11  1  0.507  0.009  0.810  1.0
  O  O12  1  0.599  0.699  0.430  1.0
  O  O13  1  0.902  0.317  0.564  1.0
  O  O14  1  0.414  0.309  0.555  1.0
  O  O15  1  0.423  0.331  0.109  1.0
  O  O16  1  0.074  0.670  0.913  1.0
  O  O17  1  0.589  0.654  0.911  1.0
  O  O18  1  0.923  0.344  0.104  1.0
  O  O19  1  0.097  0.702  0.432  1.0
[/CIF]
.