The compound described by Tb10Ti6O27 crystallizes in the monoclinic Cm space group. There are eight inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the second Tb site, Tb(2) is bonded in a 6-coordinate geometry to one O(13), one O(9), two equivalent O(11), and two equivalent O(5) atoms. In the third Tb site, Tb(3) is bonded in a 6-coordinate geometry to one O(12), one O(8), two equivalent O(11), and two equivalent O(5) atoms. In the fourth Tb site, Tb(4) is bonded in a 7-coordinate geometry to one O(11), one O(13), one O(14), one O(15), one O(17), one O(18), and one O(6) atom. In the fifth Tb site, Tb(5) is bonded to one O(12), one O(16), one O(3), two equivalent O(1), and two equivalent O(10) atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Tb(6)O7 pentagonal bipyramid, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the sixth Tb site, Tb(6) is bonded to one O(18), one O(19), one O(3), two equivalent O(14), and two equivalent O(4) atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Tb(5)O7 pentagonal bipyramid, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the seventh Tb site, Tb(7) is bonded to one O(13), one O(15), one O(2), two equivalent O(17), and two equivalent O(6) atoms to form distorted TbO7 pentagonal bipyramids that share  a cornercorner with one Ti(2)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 70°. In the eighth Tb site, Tb(8) is bonded in a 6-coordinate geometry to one O(18), one O(8), two equivalent O(17), and two equivalent O(6) atoms. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(14), one O(19), one O(2), one O(4), and one O(6) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Tb(5)O7 pentagonal bipyramid,  a cornercorner with one Tb(6)O7 pentagonal bipyramid,  an edgeedge with one Tb(6)O7 pentagonal bipyramid, and  an edgeedge with one Tb(7)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 27-61°. In the second Ti site, Ti(2) is bonded to one O(15), one O(7), two equivalent O(14), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  a cornercorner with one Tb(7)O7 pentagonal bipyramid, and edges with two equivalent Tb(6)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 44-51°. In the third Ti site, Ti(3) is bonded to one O(7), one O(9), two equivalent O(1), and two equivalent O(10) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Tb(5)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 44-61°. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(16), one O(17), one O(5), and one O(8) atom. There are nineteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Tb(5), one Ti(3), and one Ti(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Tb(7) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded to one Tb(5), one Tb(6), and two equivalent Tb(1) atoms to form distorted OTb4 tetrahedra that share  a cornercorner with one O(18)Tb4 tetrahedra, corners with three equivalent O(12)Tb4 tetrahedra, corners with four equivalent O(10)Tb2Ti2 tetrahedra, and  an edgeedge with one O(9)Tb3Ti tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Tb(1), one Tb(6), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Tb(1), one Tb(2), one Tb(3), and one Ti(4) atom. In the sixth O site, O(6) is bonded to one Tb(4), one Tb(7), one Tb(8), and one Ti(1) atom to form distorted OTb3Ti tetrahedra that share  a cornercorner with one O(10)Tb2Ti2 tetrahedra,  a cornercorner with one O(11)Tb3Ti tetrahedra, corners with two equivalent O(15)Tb3Ti tetrahedra, corners with two equivalent O(6)Tb3Ti tetrahedra, corners with two equivalent O(18)Tb4 tetrahedra,  a cornercorner with one O(8)Tb2Ti2 trigonal pyramid, and  an edgeedge with one O(13)Tb4 tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Tb(1), one Ti(2), and one Ti(3) atom. In the eighth O site, O(8) is bonded to one Tb(3), one Tb(8), and two equivalent Ti(4) atoms to form distorted OTb2Ti2 trigonal pyramids that share  a cornercorner with one O(12)Tb4 tetrahedra,  a cornercorner with one O(18)Tb4 tetrahedra, corners with two equivalent O(6)Tb3Ti tetrahedra, and corners with four equivalent O(11)Tb3Ti tetrahedra. In the ninth O site, O(9) is bonded to one Tb(2), two equivalent Tb(1), and one Ti(3) atom to form OTb3Ti tetrahedra that share  a cornercorner with one O(13)Tb4 tetrahedra, corners with two equivalent O(11)Tb3Ti tetrahedra, corners with two equivalent O(12)Tb4 tetrahedra,  an edgeedge with one O(3)Tb4 tetrahedra, and edges with two equivalent O(10)Tb2Ti2 tetrahedra. In the tenth O site, O(10) is bonded to one Tb(1), one Tb(5), one Ti(1), and one Ti(3) atom to form distorted OTb2Ti2 tetrahedra that share  a cornercorner with one O(6)Tb3Ti tetrahedra, corners with two equivalent O(10)Tb2Ti2 tetrahedra, corners with two equivalent O(3)Tb4 tetrahedra,  an edgeedge with one O(9)Tb3Ti tetrahedra, and  an edgeedge with one O(12)Tb4 tetrahedra. In the eleventh O site, O(11) is bonded to one Tb(2), one Tb(3), one Tb(4), and one Ti(4) atom to form distorted OTb3Ti tetrahedra that share  a cornercorner with one O(15)Tb3Ti tetrahedra,  a cornercorner with one O(6)Tb3Ti tetrahedra,  a cornercorner with one O(9)Tb3Ti tetrahedra,  a cornercorner with one O(12)Tb4 tetrahedra,  a cornercorner with one O(18)Tb4 tetrahedra, corners with two equivalent O(11)Tb3Ti tetrahedra, corners with two equivalent O(8)Tb2Ti2 trigonal pyramids, and  an edgeedge with one O(13)Tb4 tetrahedra. In the twelfth O site, O(12) is bonded to one Tb(3), one Tb(5), and two equivalent Tb(1) atoms to form OTb4 tetrahedra that share corners with two equivalent O(11)Tb3Ti tetrahedra, corners with two equivalent O(9)Tb3Ti tetrahedra, corners with three equivalent O(3)Tb4 tetrahedra,  a cornercorner with one O(8)Tb2Ti2 trigonal pyramid, and edges with two equivalent O(10)Tb2Ti2 tetrahedra. In the thirteenth O site, O(13) is bonded to one Tb(2), one Tb(7), and two equivalent Tb(4) atoms to form OTb4 tetrahedra that share  a cornercorner with one O(9)Tb3Ti tetrahedra, corners with three equivalent O(15)Tb3Ti tetrahedra,  an edgeedge with one O(18)Tb4 tetrahedra, edges with two equivalent O(11)Tb3Ti tetrahedra, and edges with two equivalent O(6)Tb3Ti tetrahedra. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Tb(4), one Tb(6), one Ti(1), and one Ti(2) atom. In the fifteenth O site, O(15) is bonded to one Tb(7), two equivalent Tb(4), and one Ti(2) atom to form OTb3Ti tetrahedra that share corners with two equivalent O(11)Tb3Ti tetrahedra, corners with two equivalent O(18)Tb4 tetrahedra, corners with three equivalent O(13)Tb4 tetrahedra, and corners with four equivalent O(6)Tb3Ti tetrahedra. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Tb(5) and two equivalent Ti(4) atoms. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Tb(4), one Tb(7), one Tb(8), and one Ti(4) atom. In the eighteenth O site, O(18) is bonded to one Tb(6), one Tb(8), and two equivalent Tb(4) atoms to form OTb4 tetrahedra that share  a cornercorner with one O(3)Tb4 tetrahedra, corners with two equivalent O(11)Tb3Ti tetrahedra, corners with two equivalent O(15)Tb3Ti tetrahedra, corners with four equivalent O(6)Tb3Ti tetrahedra,  a cornercorner with one O(8)Tb2Ti2 trigonal pyramid, and  an edgeedge with one O(13)Tb4 tetrahedra. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Tb(6) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb10Ti6O27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.469
_cell_length_b   7.469
_cell_length_c   12.618
_cell_angle_alpha   72.004
_cell_angle_beta   72.004
_cell_angle_gamma   58.581
_symmetry_Int_Tables_number   1
_cell_volume   561.779
_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
  Tb  Tb0  1  0.780  0.272  0.231  1.0
  Tb  Tb1  1  0.272  0.780  0.231  1.0
  Tb  Tb2  1  0.019  0.019  0.497  1.0
  Tb  Tb3  1  0.481  0.481  0.491  1.0
  Tb  Tb4  1  0.249  0.757  0.753  1.0
  Tb  Tb5  1  0.757  0.249  0.753  1.0
  Tb  Tb6  1  0.750  0.750  0.267  1.0
  Tb  Tb7  1  0.017  0.017  0.003  1.0
  Tb  Tb8  1  0.757  0.757  0.776  1.0
  Tb  Tb9  1  0.246  0.246  0.733  1.0
  Ti  Ti10  1  0.020  0.509  0.994  1.0
  Ti  Ti11  1  0.509  0.020  0.994  1.0
  Ti  Ti12  1  0.502  0.502  0.007  1.0
  Ti  Ti13  1  0.248  0.248  0.258  1.0
  Ti  Ti14  1  0.522  0.995  0.504  1.0
  Ti  Ti15  1  0.995  0.522  0.504  1.0
  O  O16  1  0.422  0.057  0.362  1.0
  O  O17  1  0.768  0.768  0.958  1.0
  O  O18  1  0.932  0.932  0.190  1.0
  O  O19  1  0.781  0.380  0.037  1.0
  O  O20  1  0.057  0.422  0.362  1.0
  O  O21  1  0.126  0.698  0.444  1.0
  O  O22  1  0.106  0.526  0.818  1.0
  O  O23  1  0.405  0.405  0.173  1.0
  O  O24  1  0.288  0.288  0.540  1.0
  O  O25  1  0.380  0.781  0.037  1.0
  O  O26  1  0.088  0.088  0.296  1.0
  O  O27  1  0.475  0.964  0.159  1.0
  O  O28  1  0.333  0.777  0.565  1.0
  O  O29  1  0.564  0.564  0.311  1.0
  O  O30  1  0.698  0.126  0.444  1.0
  O  O31  1  0.526  0.106  0.818  1.0
  O  O32  1  0.936  0.936  0.688  1.0
  O  O33  1  0.642  0.180  0.976  1.0
  O  O34  1  0.559  0.559  0.843  1.0
  O  O35  1  0.777  0.333  0.565  1.0
  O  O36  1  0.737  0.737  0.452  1.0
  O  O37  1  0.964  0.475  0.159  1.0
  O  O38  1  0.923  0.500  0.663  1.0
  O  O39  1  0.070  0.070  0.815  1.0
  O  O40  1  0.180  0.642  0.976  1.0
  O  O41  1  0.500  0.923  0.663  1.0
  O  O42  1  0.197  0.197  1.000  1.0
[/CIF]
.
The compound described by Tb10Ti6O27 crystallizes in the monoclinic Cm space group. There are eight inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(3), one O(4), one O(5), one O(7), and one O(9) atom. In the second Tb site, Tb(2) is bonded in a 6-coordinate geometry to one O(13), one O(9), two equivalent O(11), and two equivalent O(5) atoms. In the third Tb site, Tb(3) is bonded in a 6-coordinate geometry to one O(12), one O(8), two equivalent O(11), and two equivalent O(5) atoms. In the fourth Tb site, Tb(4) is bonded in a 7-coordinate geometry to one O(11), one O(13), one O(14), one O(15), one O(17), one O(18), and one O(6) atom. In the fifth Tb site, Tb(5) is bonded to one O(12), one O(16), one O(3), two equivalent O(1), and two equivalent O(10) atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Tb(6)O7 pentagonal bipyramid, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the sixth Tb site, Tb(6) is bonded to one O(18), one O(19), one O(3), two equivalent O(14), and two equivalent O(4) atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Tb(5)O7 pentagonal bipyramid, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 57°. In the seventh Tb site, Tb(7) is bonded to one O(13), one O(15), one O(2), two equivalent O(17), and two equivalent O(6) atoms to form distorted TbO7 pentagonal bipyramids that share  a cornercorner with one Ti(2)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 70°. In the eighth Tb site, Tb(8) is bonded in a 6-coordinate geometry to one O(18), one O(8), two equivalent O(17), and two equivalent O(6) atoms. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(14), one O(19), one O(2), one O(4), and one O(6) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Tb(5)O7 pentagonal bipyramid,  a cornercorner with one Tb(6)O7 pentagonal bipyramid,  an edgeedge with one Tb(6)O7 pentagonal bipyramid, and  an edgeedge with one Tb(7)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 27-61°. In the second Ti site, Ti(2) is bonded to one O(15), one O(7), two equivalent O(14), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  a cornercorner with one Tb(7)O7 pentagonal bipyramid, and edges with two equivalent Tb(6)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 44-51°. In the third Ti site, Ti(3) is bonded to one O(7), one O(9), two equivalent O(1), and two equivalent O(10) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Tb(5)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 44-61°. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(16), one O(17), one O(5), and one O(8) atom. There are nineteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Tb(5), one Ti(3), and one Ti(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Tb(7) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded to one Tb(5), one Tb(6), and two equivalent Tb(1) atoms to form distorted OTb4 tetrahedra that share  a cornercorner with one O(18)Tb4 tetrahedra, corners with three equivalent O(12)Tb4 tetrahedra, corners with four equivalent O(10)Tb2Ti2 tetrahedra, and  an edgeedge with one O(9)Tb3Ti tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Tb(1), one Tb(6), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Tb(1), one Tb(2), one Tb(3), and one Ti(4) atom. In the sixth O site, O(6) is bonded to one Tb(4), one Tb(7), one Tb(8), and one Ti(1) atom to form distorted OTb3Ti tetrahedra that share  a cornercorner with one O(10)Tb2Ti2 tetrahedra,  a cornercorner with one O(11)Tb3Ti tetrahedra, corners with two equivalent O(15)Tb3Ti tetrahedra, corners with two equivalent O(6)Tb3Ti tetrahedra, corners with two equivalent O(18)Tb4 tetrahedra,  a cornercorner with one O(8)Tb2Ti2 trigonal pyramid, and  an edgeedge with one O(13)Tb4 tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Tb(1), one Ti(2), and one Ti(3) atom. In the eighth O site, O(8) is bonded to one Tb(3), one Tb(8), and two equivalent Ti(4) atoms to form distorted OTb2Ti2 trigonal pyramids that share  a cornercorner with one O(12)Tb4 tetrahedra,  a cornercorner with one O(18)Tb4 tetrahedra, corners with two equivalent O(6)Tb3Ti tetrahedra, and corners with four equivalent O(11)Tb3Ti tetrahedra. In the ninth O site, O(9) is bonded to one Tb(2), two equivalent Tb(1), and one Ti(3) atom to form OTb3Ti tetrahedra that share  a cornercorner with one O(13)Tb4 tetrahedra, corners with two equivalent O(11)Tb3Ti tetrahedra, corners with two equivalent O(12)Tb4 tetrahedra,  an edgeedge with one O(3)Tb4 tetrahedra, and edges with two equivalent O(10)Tb2Ti2 tetrahedra. In the tenth O site, O(10) is bonded to one Tb(1), one Tb(5), one Ti(1), and one Ti(3) atom to form distorted OTb2Ti2 tetrahedra that share  a cornercorner with one O(6)Tb3Ti tetrahedra, corners with two equivalent O(10)Tb2Ti2 tetrahedra, corners with two equivalent O(3)Tb4 tetrahedra,  an edgeedge with one O(9)Tb3Ti tetrahedra, and  an edgeedge with one O(12)Tb4 tetrahedra. In the eleventh O site, O(11) is bonded to one Tb(2), one Tb(3), one Tb(4), and one Ti(4) atom to form distorted OTb3Ti tetrahedra that share  a cornercorner with one O(15)Tb3Ti tetrahedra,  a cornercorner with one O(6)Tb3Ti tetrahedra,  a cornercorner with one O(9)Tb3Ti tetrahedra,  a cornercorner with one O(12)Tb4 tetrahedra,  a cornercorner with one O(18)Tb4 tetrahedra, corners with two equivalent O(11)Tb3Ti tetrahedra, corners with two equivalent O(8)Tb2Ti2 trigonal pyramids, and  an edgeedge with one O(13)Tb4 tetrahedra. In the twelfth O site, O(12) is bonded to one Tb(3), one Tb(5), and two equivalent Tb(1) atoms to form OTb4 tetrahedra that share corners with two equivalent O(11)Tb3Ti tetrahedra, corners with two equivalent O(9)Tb3Ti tetrahedra, corners with three equivalent O(3)Tb4 tetrahedra,  a cornercorner with one O(8)Tb2Ti2 trigonal pyramid, and edges with two equivalent O(10)Tb2Ti2 tetrahedra. In the thirteenth O site, O(13) is bonded to one Tb(2), one Tb(7), and two equivalent Tb(4) atoms to form OTb4 tetrahedra that share  a cornercorner with one O(9)Tb3Ti tetrahedra, corners with three equivalent O(15)Tb3Ti tetrahedra,  an edgeedge with one O(18)Tb4 tetrahedra, edges with two equivalent O(11)Tb3Ti tetrahedra, and edges with two equivalent O(6)Tb3Ti tetrahedra. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Tb(4), one Tb(6), one Ti(1), and one Ti(2) atom. In the fifteenth O site, O(15) is bonded to one Tb(7), two equivalent Tb(4), and one Ti(2) atom to form OTb3Ti tetrahedra that share corners with two equivalent O(11)Tb3Ti tetrahedra, corners with two equivalent O(18)Tb4 tetrahedra, corners with three equivalent O(13)Tb4 tetrahedra, and corners with four equivalent O(6)Tb3Ti tetrahedra. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Tb(5) and two equivalent Ti(4) atoms. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Tb(4), one Tb(7), one Tb(8), and one Ti(4) atom. In the eighteenth O site, O(18) is bonded to one Tb(6), one Tb(8), and two equivalent Tb(4) atoms to form OTb4 tetrahedra that share  a cornercorner with one O(3)Tb4 tetrahedra, corners with two equivalent O(11)Tb3Ti tetrahedra, corners with two equivalent O(15)Tb3Ti tetrahedra, corners with four equivalent O(6)Tb3Ti tetrahedra,  a cornercorner with one O(8)Tb2Ti2 trigonal pyramid, and  an edgeedge with one O(13)Tb4 tetrahedra. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Tb(6) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb10Ti6O27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.469
_cell_length_b   7.469
_cell_length_c   12.618
_cell_angle_alpha   72.004
_cell_angle_beta   72.004
_cell_angle_gamma   58.581
_symmetry_Int_Tables_number   1
_cell_volume   561.779
_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
  Tb  Tb0  1  0.780  0.272  0.231  1.0
  Tb  Tb1  1  0.272  0.780  0.231  1.0
  Tb  Tb2  1  0.019  0.019  0.497  1.0
  Tb  Tb3  1  0.481  0.481  0.491  1.0
  Tb  Tb4  1  0.249  0.757  0.753  1.0
  Tb  Tb5  1  0.757  0.249  0.753  1.0
  Tb  Tb6  1  0.750  0.750  0.267  1.0
  Tb  Tb7  1  0.017  0.017  0.003  1.0
  Tb  Tb8  1  0.757  0.757  0.776  1.0
  Tb  Tb9  1  0.246  0.246  0.733  1.0
  Ti  Ti10  1  0.020  0.509  0.994  1.0
  Ti  Ti11  1  0.509  0.020  0.994  1.0
  Ti  Ti12  1  0.502  0.502  0.007  1.0
  Ti  Ti13  1  0.248  0.248  0.258  1.0
  Ti  Ti14  1  0.522  0.995  0.504  1.0
  Ti  Ti15  1  0.995  0.522  0.504  1.0
  O  O16  1  0.422  0.057  0.362  1.0
  O  O17  1  0.768  0.768  0.958  1.0
  O  O18  1  0.932  0.932  0.190  1.0
  O  O19  1  0.781  0.380  0.037  1.0
  O  O20  1  0.057  0.422  0.362  1.0
  O  O21  1  0.126  0.698  0.444  1.0
  O  O22  1  0.106  0.526  0.818  1.0
  O  O23  1  0.405  0.405  0.173  1.0
  O  O24  1  0.288  0.288  0.540  1.0
  O  O25  1  0.380  0.781  0.037  1.0
  O  O26  1  0.088  0.088  0.296  1.0
  O  O27  1  0.475  0.964  0.159  1.0
  O  O28  1  0.333  0.777  0.565  1.0
  O  O29  1  0.564  0.564  0.311  1.0
  O  O30  1  0.698  0.126  0.444  1.0
  O  O31  1  0.526  0.106  0.818  1.0
  O  O32  1  0.936  0.936  0.688  1.0
  O  O33  1  0.642  0.180  0.976  1.0
  O  O34  1  0.559  0.559  0.843  1.0
  O  O35  1  0.777  0.333  0.565  1.0
  O  O36  1  0.737  0.737  0.452  1.0
  O  O37  1  0.964  0.475  0.159  1.0
  O  O38  1  0.923  0.500  0.663  1.0
  O  O39  1  0.070  0.070  0.815  1.0
  O  O40  1  0.180  0.642  0.976  1.0
  O  O41  1  0.500  0.923  0.663  1.0
  O  O42  1  0.197  0.197  1.000  1.0
[/CIF]
.