The structure described by Ba8Ti3Nb4O24 crystallizes in the trigonal P3m1 space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Nb(2)O6 octahedra,  a faceface with one Nb(4)O6 octahedra, and faces with three equivalent Nb(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to three equivalent O(1), three equivalent O(4), and six equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(8)O12 cuboctahedra,  a faceface with one Ti(3)O6 octahedra,  a faceface with one Nb(3)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Ti(2)O6 octahedra. In the third Ba site, Ba(3) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(7) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Ti(1)O6 octahedra,  a faceface with one Nb(1)O6 octahedra, faces with three equivalent Ti(3)O6 octahedra, and faces with three equivalent Nb(4)O6 octahedra. In the fourth Ba site, Ba(4) is bonded to three equivalent O(3), three equivalent O(4), and six equivalent O(8) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(8)O12 cuboctahedra,  a faceface with one Ti(2)O6 octahedra, faces with three equivalent Nb(2)O6 octahedra, and faces with three equivalent Nb(3)O6 octahedra. In the fifth Ba site, Ba(5) is bonded to three equivalent O(6), three equivalent O(7), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(6)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Ti(2)O6 octahedra,  a faceface with one Ba(8)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Nb(4)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the sixth Ba site, Ba(6) is bonded to three equivalent O(5), three equivalent O(7), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(6)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ti(3)O6 octahedra, faces with three equivalent Nb(1)O6 octahedra, and faces with three equivalent Nb(4)O6 octahedra. In the seventh Ba site, Ba(7) is bonded in a 9-coordinate geometry to three equivalent O(5) and six equivalent O(3) atoms. In the eighth Ba site, Ba(8) is bonded to three equivalent O(6), three equivalent O(8), and six equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(8)O12 cuboctahedra, corners with three equivalent Ti(1)O6 octahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Nb(2)O6 octahedra, faces with three equivalent Ti(2)O6 octahedra, and faces with three equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Ba(8)O12 cuboctahedra, corners with three equivalent Ti(3)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second Ti site, Ti(2) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Nb(3)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(8)O12 cuboctahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the third Ti site, Ti(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form distorted NbO6 octahedra that share corners with three equivalent Nb(4)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. In the second Nb site, Nb(2) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form NbO6 octahedra that share corners with three equivalent Nb(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(8)O12 cuboctahedra, and faces with three equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. In the third Nb site, Nb(3) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form NbO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, and faces with three equivalent Ba(8)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fourth Nb site, Nb(4) is bonded to three equivalent O(2) and three equivalent O(7) atoms to form NbO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-7°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(5), one Ti(1), and one Ti(3) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(6), one Nb(1), and one Nb(4) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(4), two equivalent Ba(7), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(2), one Ba(4), two equivalent Ba(8), one Ti(2), and one Nb(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(6), one Ba(7), two equivalent Ba(1), and one Nb(1) atom. In the sixth O site, O(6) is bonded to one Ba(5), one Ba(8), two equivalent Ba(2), one Ti(1), and one Ti(2) atom to form a mixture of distorted corner and face-sharing OBa4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 8-60°. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Ba(5), one Ba(6), two equivalent Ba(3), one Ti(3), and one Nb(4) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(8), two equivalent Ba(4), one Nb(2), and one Nb(3) atom. is represented by the CIF card [CIF]
data_Ba8Ti3Nb4O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.855
_cell_length_b   5.855
_cell_length_c   19.201
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   570.005
_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
  Ba  Ba0  1  0.667  0.333  0.246  1.0
  Ba  Ba1  1  0.333  0.667  0.747  1.0
  Ba  Ba2  1  0.000  0.000  0.501  1.0
  Ba  Ba3  1  0.000  0.000  0.011  1.0
  Ba  Ba4  1  0.667  0.333  0.634  1.0
  Ba  Ba5  1  0.333  0.667  0.374  1.0
  Ba  Ba6  1  0.333  0.667  0.147  1.0
  Ba  Ba7  1  0.667  0.333  0.861  1.0
  Ti  Ti8  1  0.000  0.000  0.679  1.0
  Ti  Ti9  1  0.000  0.000  0.820  1.0
  Ti  Ti10  1  0.333  0.667  0.564  1.0
  Nb  Nb11  1  0.000  0.000  0.305  1.0
  Nb  Nb12  1  0.667  0.333  0.066  1.0
  Nb  Nb13  1  0.333  0.667  0.938  1.0
  Nb  Nb14  1  0.667  0.333  0.440  1.0
  O  O15  1  0.169  0.831  0.622  1.0
  O  O16  1  0.662  0.831  0.622  1.0
  O  O17  1  0.169  0.338  0.622  1.0
  O  O18  1  0.830  0.170  0.382  1.0
  O  O19  1  0.340  0.170  0.382  1.0
  O  O20  1  0.830  0.660  0.382  1.0
  O  O21  1  0.825  0.175  0.116  1.0
  O  O22  1  0.349  0.175  0.116  1.0
  O  O23  1  0.825  0.651  0.116  1.0
  O  O24  1  0.166  0.834  0.871  1.0
  O  O25  1  0.667  0.834  0.871  1.0
  O  O26  1  0.166  0.333  0.871  1.0
  O  O27  1  0.165  0.835  0.261  1.0
  O  O28  1  0.670  0.835  0.261  1.0
  O  O29  1  0.165  0.330  0.261  1.0
  O  O30  1  0.853  0.147  0.747  1.0
  O  O31  1  0.295  0.147  0.747  1.0
  O  O32  1  0.853  0.705  0.747  1.0
  O  O33  1  0.499  0.997  0.503  1.0
  O  O34  1  0.499  0.501  0.503  1.0
  O  O35  1  0.003  0.501  0.503  1.0
  O  O36  1  0.498  0.996  0.990  1.0
  O  O37  1  0.498  0.502  0.990  1.0
  O  O38  1  0.004  0.502  0.990  1.0
[/CIF]
.
The structure described by Ba8Ti3Nb4O24 crystallizes in the trigonal P3m1 space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Nb(2)O6 octahedra,  a faceface with one Nb(4)O6 octahedra, and faces with three equivalent Nb(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to three equivalent O(1), three equivalent O(4), and six equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(8)O12 cuboctahedra,  a faceface with one Ti(3)O6 octahedra,  a faceface with one Nb(3)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Ti(2)O6 octahedra. In the third Ba site, Ba(3) is bonded to three equivalent O(1), three equivalent O(2), and six equivalent O(7) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Ti(1)O6 octahedra,  a faceface with one Nb(1)O6 octahedra, faces with three equivalent Ti(3)O6 octahedra, and faces with three equivalent Nb(4)O6 octahedra. In the fourth Ba site, Ba(4) is bonded to three equivalent O(3), three equivalent O(4), and six equivalent O(8) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(8)O12 cuboctahedra,  a faceface with one Ti(2)O6 octahedra, faces with three equivalent Nb(2)O6 octahedra, and faces with three equivalent Nb(3)O6 octahedra. In the fifth Ba site, Ba(5) is bonded to three equivalent O(6), three equivalent O(7), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(6)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Ti(2)O6 octahedra,  a faceface with one Ba(8)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Nb(4)O6 octahedra, faces with three equivalent Ti(1)O6 octahedra, and faces with three equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the sixth Ba site, Ba(6) is bonded to three equivalent O(5), three equivalent O(7), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(6)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ti(3)O6 octahedra, faces with three equivalent Nb(1)O6 octahedra, and faces with three equivalent Nb(4)O6 octahedra. In the seventh Ba site, Ba(7) is bonded in a 9-coordinate geometry to three equivalent O(5) and six equivalent O(3) atoms. In the eighth Ba site, Ba(8) is bonded to three equivalent O(6), three equivalent O(8), and six equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(8)O12 cuboctahedra, corners with three equivalent Ti(1)O6 octahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Nb(2)O6 octahedra, faces with three equivalent Ti(2)O6 octahedra, and faces with three equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Ba(8)O12 cuboctahedra, corners with three equivalent Ti(3)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second Ti site, Ti(2) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Nb(3)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(8)O12 cuboctahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the third Ti site, Ti(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form TiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form distorted NbO6 octahedra that share corners with three equivalent Nb(4)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. In the second Nb site, Nb(2) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form NbO6 octahedra that share corners with three equivalent Nb(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(8)O12 cuboctahedra, and faces with three equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. In the third Nb site, Nb(3) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form NbO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, and faces with three equivalent Ba(8)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fourth Nb site, Nb(4) is bonded to three equivalent O(2) and three equivalent O(7) atoms to form NbO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-7°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(5), one Ti(1), and one Ti(3) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(6), one Nb(1), and one Nb(4) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(4), two equivalent Ba(7), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(2), one Ba(4), two equivalent Ba(8), one Ti(2), and one Nb(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(6), one Ba(7), two equivalent Ba(1), and one Nb(1) atom. In the sixth O site, O(6) is bonded to one Ba(5), one Ba(8), two equivalent Ba(2), one Ti(1), and one Ti(2) atom to form a mixture of distorted corner and face-sharing OBa4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 8-60°. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Ba(5), one Ba(6), two equivalent Ba(3), one Ti(3), and one Nb(4) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(8), two equivalent Ba(4), one Nb(2), and one Nb(3) atom. is represented by the CIF card [CIF]
data_Ba8Ti3Nb4O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.855
_cell_length_b   5.855
_cell_length_c   19.201
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   570.005
_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
  Ba  Ba0  1  0.667  0.333  0.246  1.0
  Ba  Ba1  1  0.333  0.667  0.747  1.0
  Ba  Ba2  1  0.000  0.000  0.501  1.0
  Ba  Ba3  1  0.000  0.000  0.011  1.0
  Ba  Ba4  1  0.667  0.333  0.634  1.0
  Ba  Ba5  1  0.333  0.667  0.374  1.0
  Ba  Ba6  1  0.333  0.667  0.147  1.0
  Ba  Ba7  1  0.667  0.333  0.861  1.0
  Ti  Ti8  1  0.000  0.000  0.679  1.0
  Ti  Ti9  1  0.000  0.000  0.820  1.0
  Ti  Ti10  1  0.333  0.667  0.564  1.0
  Nb  Nb11  1  0.000  0.000  0.305  1.0
  Nb  Nb12  1  0.667  0.333  0.066  1.0
  Nb  Nb13  1  0.333  0.667  0.938  1.0
  Nb  Nb14  1  0.667  0.333  0.440  1.0
  O  O15  1  0.169  0.831  0.622  1.0
  O  O16  1  0.662  0.831  0.622  1.0
  O  O17  1  0.169  0.338  0.622  1.0
  O  O18  1  0.830  0.170  0.382  1.0
  O  O19  1  0.340  0.170  0.382  1.0
  O  O20  1  0.830  0.660  0.382  1.0
  O  O21  1  0.825  0.175  0.116  1.0
  O  O22  1  0.349  0.175  0.116  1.0
  O  O23  1  0.825  0.651  0.116  1.0
  O  O24  1  0.166  0.834  0.871  1.0
  O  O25  1  0.667  0.834  0.871  1.0
  O  O26  1  0.166  0.333  0.871  1.0
  O  O27  1  0.165  0.835  0.261  1.0
  O  O28  1  0.670  0.835  0.261  1.0
  O  O29  1  0.165  0.330  0.261  1.0
  O  O30  1  0.853  0.147  0.747  1.0
  O  O31  1  0.295  0.147  0.747  1.0
  O  O32  1  0.853  0.705  0.747  1.0
  O  O33  1  0.499  0.997  0.503  1.0
  O  O34  1  0.499  0.501  0.503  1.0
  O  O35  1  0.003  0.501  0.503  1.0
  O  O36  1  0.498  0.996  0.990  1.0
  O  O37  1  0.498  0.502  0.990  1.0
  O  O38  1  0.004  0.502  0.990  1.0
[/CIF]
.