The structure described by Ba3Y3Cu3O10 crystallizes in the triclinic P1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(14), one O(20), one O(3), one O(6), and two equivalent O(15) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(19), one O(20), and two equivalent O(13) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(13), one O(15), one O(19), one O(2), one O(3), one O(5), one O(6), and two equivalent O(14) atoms. In the fourth Ba site, Ba(4) is bonded in a 5-coordinate geometry to one O(16), one O(17), one O(20), and two equivalent O(18) atoms. In the fifth Ba site, Ba(5) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(19), one O(20), one O(7), and two equivalent O(16) atoms. In the sixth Ba site, Ba(6) is bonded in a 5-coordinate geometry to one O(16), one O(18), one O(19), and two equivalent O(17) atoms. There are six inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to one O(1), one O(10), one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to one O(10), one O(11), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the third Y site, Y(3) is bonded in a body-centered cubic geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. In the fourth Y site, Y(4) is bonded to one O(1), one O(13), one O(2), one O(4), and one O(5) atom to form distorted YO5 trigonal bipyramids that share corners with two equivalent Cu(4)O5 square pyramids. In the fifth Y site, Y(5) is bonded to one O(11), one O(12), one O(17), one O(8), and one O(9) atom to form distorted corner-sharing YO5 trigonal bipyramids. In the sixth Y site, Y(6) is bonded to one O(10), one O(11), one O(16), one O(7), and one O(8) atom to form distorted corner-sharing YO5 trigonal bipyramids. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(13), one O(16), one O(19), and one O(20) atom. In the second Cu site, Cu(2) is bonded in a T-shaped geometry to one O(14), one O(17), and one O(19) atom. In the third Cu site, Cu(3) is bonded in a distorted T-shaped geometry to one O(15), one O(18), and one O(20) atom. In the fourth Cu site, Cu(4) is bonded to one O(1), one O(15), one O(3), one O(4), and one O(6) atom to form distorted CuO5 square pyramids that share corners with two equivalent Y(4)O5 trigonal bipyramids. In the fifth Cu site, Cu(5) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(6) atom. In the sixth Cu site, Cu(6) is bonded in a rectangular see-saw-like geometry to one O(10), one O(12), one O(7), and one O(9) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Y(1), one Y(3), one Y(4), and one Cu(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(3), one Y(1), one Y(2), one Y(4), and one Cu(5) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Y(2), one Y(3), one Cu(4), and one Cu(5) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Y(1), one Y(3), one Y(4), and one Cu(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(3), one Y(1), one Y(2), one Y(4), and one Cu(5) atom. In the sixth O site, O(6) is bonded to one Ba(1), one Ba(3), one Y(2), one Y(3), one Cu(4), and one Cu(5) atom to form distorted OBa2Y2Cu2 octahedra that share  a cornercorner with one O(15)Ba4Cu2 octahedra,  a cornercorner with one O(20)Ba4Cu2 octahedra, corners with two equivalent O(13)Ba4YCu octahedra, corners with two equivalent O(8)Y4 tetrahedra,  an edgeedge with one O(11)Y4 tetrahedra, and  a faceface with one O(15)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(5), one Y(1), one Y(2), one Y(6), and one Cu(6) atom. In the eighth O site, O(8) is bonded to one Y(2), one Y(3), one Y(5), and one Y(6) atom to form distorted OY4 tetrahedra that share  a cornercorner with one O(16)Ba4YCu octahedra, corners with two equivalent O(6)Ba2Y2Cu2 octahedra, and edges with two equivalent O(11)Y4 tetrahedra. The corner-sharing octahedral tilt angles range from 68-73°. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Y(1), one Y(3), one Y(5), and one Cu(6) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Y(6), and one Cu(6) atom. In the eleventh O site, O(11) is bonded to one Y(2), one Y(3), one Y(5), and one Y(6) atom to form distorted OY4 tetrahedra that share  a cornercorner with one O(16)Ba4YCu octahedra,  an edgeedge with one O(6)Ba2Y2Cu2 octahedra, and edges with two equivalent O(8)Y4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Y(1), one Y(3), one Y(5), and one Cu(6) atom. In the thirteenth O site, O(13) is bonded to one Ba(1), one Ba(3), two equivalent Ba(2), one Y(4), and one Cu(1) atom to form distorted OBa4YCu octahedra that share  a cornercorner with one O(15)Ba4Cu2 octahedra,  a cornercorner with one O(20)Ba4Cu2 octahedra,  a cornercorner with one O(16)Ba4YCu octahedra, corners with two equivalent O(6)Ba2Y2Cu2 octahedra, corners with two equivalent O(13)Ba4YCu octahedra, edges with two equivalent O(15)Ba4Cu2 octahedra, and  a faceface with one O(20)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-57°. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), and one Cu(2) atom. In the fifteenth O site, O(15) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), one Cu(3), and one Cu(4) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(6)Ba2Y2Cu2 octahedra,  a cornercorner with one O(20)Ba4Cu2 octahedra,  a cornercorner with one O(13)Ba4YCu octahedra, corners with two equivalent O(15)Ba4Cu2 octahedra,  a cornercorner with one O(18)Ba4Cu square pyramid, edges with two equivalent O(13)Ba4YCu octahedra,  a faceface with one O(6)Ba2Y2Cu2 octahedra, and  a faceface with one O(20)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 15-75°. In the sixteenth O site, O(16) is bonded to one Ba(4), one Ba(6), two equivalent Ba(5), one Y(6), and one Cu(1) atom to form distorted OBa4YCu octahedra that share  a cornercorner with one O(20)Ba4Cu2 octahedra,  a cornercorner with one O(13)Ba4YCu octahedra, corners with two equivalent O(16)Ba4YCu octahedra,  a cornercorner with one O(18)Ba4Cu square pyramid,  a cornercorner with one O(11)Y4 tetrahedra,  a cornercorner with one O(8)Y4 tetrahedra, edges with two equivalent O(18)Ba4Cu square pyramids, and  a faceface with one O(20)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-50°. In the seventeenth O site, O(17) is bonded in a 6-coordinate geometry to one Ba(4), one Ba(5), two equivalent Ba(6), one Y(5), and one Cu(2) atom. In the eighteenth O site, O(18) is bonded to one Ba(5), one Ba(6), two equivalent Ba(4), and one Cu(3) atom to form distorted OBa4Cu square pyramids that share  a cornercorner with one O(15)Ba4Cu2 octahedra,  a cornercorner with one O(20)Ba4Cu2 octahedra,  a cornercorner with one O(16)Ba4YCu octahedra, corners with two equivalent O(18)Ba4Cu square pyramids, edges with two equivalent O(16)Ba4YCu octahedra, and  a faceface with one O(20)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 7-68°. In the nineteenth O site, O(19) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(6), one Cu(1), and one Cu(2) atom. In the twentieth O site, O(20) is bonded to one Ba(1), one Ba(2), one Ba(4), one Ba(5), one Cu(1), and one Cu(3) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(6)Ba2Y2Cu2 octahedra,  a cornercorner with one O(15)Ba4Cu2 octahedra,  a cornercorner with one O(13)Ba4YCu octahedra,  a cornercorner with one O(16)Ba4YCu octahedra,  a cornercorner with one O(18)Ba4Cu square pyramid,  a faceface with one O(15)Ba4Cu2 octahedra,  a faceface with one O(13)Ba4YCu octahedra,  a faceface with one O(16)Ba4YCu octahedra, and  a faceface with one O(18)Ba4Cu square pyramid. The corner-sharing octahedral tilt angles range from 50-75°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Y3Cu3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.692
_cell_length_b   9.155
_cell_length_c   13.014
_cell_angle_alpha   97.315
_cell_angle_beta   78.059
_cell_angle_gamma   69.071
_symmetry_Int_Tables_number   1
_cell_volume   604.545
_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
  Ba  Ba0  1  0.215  0.914  0.685  1.0
  Ba  Ba1  1  0.894  0.549  0.657  1.0
  Ba  Ba2  1  0.539  0.211  0.689  1.0
  Ba  Ba3  1  0.465  0.772  0.339  1.0
  Ba  Ba4  1  0.095  0.477  0.347  1.0
  Ba  Ba5  1  0.752  0.110  0.355  1.0
  Y  Y6  1  0.664  0.669  1.000  1.0
  Y  Y7  1  0.343  0.329  0.993  1.0
  Y  Y8  1  0.002  0.997  0.992  1.0
  Y  Y9  1  0.275  0.612  0.835  1.0
  Y  Y10  1  0.383  0.051  0.164  1.0
  Y  Y11  1  0.730  0.388  0.160  1.0
  Cu  Cu12  1  0.501  0.498  0.502  1.0
  Cu  Cu13  1  0.155  0.165  0.492  1.0
  Cu  Cu14  1  0.846  0.840  0.508  1.0
  Cu  Cu15  1  0.587  0.959  0.866  1.0
  Cu  Cu16  1  0.923  0.286  0.870  1.0
  Cu  Cu17  1  0.083  0.709  0.124  1.0
  O  O18  1  0.414  0.801  0.880  1.0
  O  O19  1  0.074  0.453  0.885  1.0
  O  O20  1  0.749  0.127  0.876  1.0
  O  O21  1  0.890  0.806  0.896  1.0
  O  O22  1  0.588  0.454  0.890  1.0
  O  O23  1  0.256  0.120  0.860  1.0
  O  O24  1  0.931  0.545  0.118  1.0
  O  O25  1  0.594  0.200  0.108  1.0
  O  O26  1  0.248  0.866  0.108  1.0
  O  O27  1  0.415  0.545  0.111  1.0
  O  O28  1  0.110  0.195  0.084  1.0
  O  O29  1  0.760  0.862  0.119  1.0
  O  O30  1  0.388  0.551  0.664  1.0
  O  O31  1  0.035  0.201  0.638  1.0
  O  O32  1  0.758  0.894  0.656  1.0
  O  O33  1  0.629  0.438  0.333  1.0
  O  O34  1  0.257  0.105  0.339  1.0
  O  O35  1  0.962  0.800  0.360  1.0
  O  O36  1  0.332  0.350  0.496  1.0
  O  O37  1  0.660  0.651  0.500  1.0
[/CIF]
.
The structure described by Ba3Y3Cu3O10 crystallizes in the triclinic P1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(14), one O(20), one O(3), one O(6), and two equivalent O(15) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(19), one O(20), and two equivalent O(13) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(13), one O(15), one O(19), one O(2), one O(3), one O(5), one O(6), and two equivalent O(14) atoms. In the fourth Ba site, Ba(4) is bonded in a 5-coordinate geometry to one O(16), one O(17), one O(20), and two equivalent O(18) atoms. In the fifth Ba site, Ba(5) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(19), one O(20), one O(7), and two equivalent O(16) atoms. In the sixth Ba site, Ba(6) is bonded in a 5-coordinate geometry to one O(16), one O(18), one O(19), and two equivalent O(17) atoms. There are six inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to one O(1), one O(10), one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to one O(10), one O(11), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the third Y site, Y(3) is bonded in a body-centered cubic geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. In the fourth Y site, Y(4) is bonded to one O(1), one O(13), one O(2), one O(4), and one O(5) atom to form distorted YO5 trigonal bipyramids that share corners with two equivalent Cu(4)O5 square pyramids. In the fifth Y site, Y(5) is bonded to one O(11), one O(12), one O(17), one O(8), and one O(9) atom to form distorted corner-sharing YO5 trigonal bipyramids. In the sixth Y site, Y(6) is bonded to one O(10), one O(11), one O(16), one O(7), and one O(8) atom to form distorted corner-sharing YO5 trigonal bipyramids. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(13), one O(16), one O(19), and one O(20) atom. In the second Cu site, Cu(2) is bonded in a T-shaped geometry to one O(14), one O(17), and one O(19) atom. In the third Cu site, Cu(3) is bonded in a distorted T-shaped geometry to one O(15), one O(18), and one O(20) atom. In the fourth Cu site, Cu(4) is bonded to one O(1), one O(15), one O(3), one O(4), and one O(6) atom to form distorted CuO5 square pyramids that share corners with two equivalent Y(4)O5 trigonal bipyramids. In the fifth Cu site, Cu(5) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(5), and one O(6) atom. In the sixth Cu site, Cu(6) is bonded in a rectangular see-saw-like geometry to one O(10), one O(12), one O(7), and one O(9) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Y(1), one Y(3), one Y(4), and one Cu(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(3), one Y(1), one Y(2), one Y(4), and one Cu(5) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Y(2), one Y(3), one Cu(4), and one Cu(5) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Y(1), one Y(3), one Y(4), and one Cu(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(3), one Y(1), one Y(2), one Y(4), and one Cu(5) atom. In the sixth O site, O(6) is bonded to one Ba(1), one Ba(3), one Y(2), one Y(3), one Cu(4), and one Cu(5) atom to form distorted OBa2Y2Cu2 octahedra that share  a cornercorner with one O(15)Ba4Cu2 octahedra,  a cornercorner with one O(20)Ba4Cu2 octahedra, corners with two equivalent O(13)Ba4YCu octahedra, corners with two equivalent O(8)Y4 tetrahedra,  an edgeedge with one O(11)Y4 tetrahedra, and  a faceface with one O(15)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(5), one Y(1), one Y(2), one Y(6), and one Cu(6) atom. In the eighth O site, O(8) is bonded to one Y(2), one Y(3), one Y(5), and one Y(6) atom to form distorted OY4 tetrahedra that share  a cornercorner with one O(16)Ba4YCu octahedra, corners with two equivalent O(6)Ba2Y2Cu2 octahedra, and edges with two equivalent O(11)Y4 tetrahedra. The corner-sharing octahedral tilt angles range from 68-73°. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Y(1), one Y(3), one Y(5), and one Cu(6) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), one Y(6), and one Cu(6) atom. In the eleventh O site, O(11) is bonded to one Y(2), one Y(3), one Y(5), and one Y(6) atom to form distorted OY4 tetrahedra that share  a cornercorner with one O(16)Ba4YCu octahedra,  an edgeedge with one O(6)Ba2Y2Cu2 octahedra, and edges with two equivalent O(8)Y4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Y(1), one Y(3), one Y(5), and one Cu(6) atom. In the thirteenth O site, O(13) is bonded to one Ba(1), one Ba(3), two equivalent Ba(2), one Y(4), and one Cu(1) atom to form distorted OBa4YCu octahedra that share  a cornercorner with one O(15)Ba4Cu2 octahedra,  a cornercorner with one O(20)Ba4Cu2 octahedra,  a cornercorner with one O(16)Ba4YCu octahedra, corners with two equivalent O(6)Ba2Y2Cu2 octahedra, corners with two equivalent O(13)Ba4YCu octahedra, edges with two equivalent O(15)Ba4Cu2 octahedra, and  a faceface with one O(20)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-57°. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), and one Cu(2) atom. In the fifteenth O site, O(15) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), one Cu(3), and one Cu(4) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(6)Ba2Y2Cu2 octahedra,  a cornercorner with one O(20)Ba4Cu2 octahedra,  a cornercorner with one O(13)Ba4YCu octahedra, corners with two equivalent O(15)Ba4Cu2 octahedra,  a cornercorner with one O(18)Ba4Cu square pyramid, edges with two equivalent O(13)Ba4YCu octahedra,  a faceface with one O(6)Ba2Y2Cu2 octahedra, and  a faceface with one O(20)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 15-75°. In the sixteenth O site, O(16) is bonded to one Ba(4), one Ba(6), two equivalent Ba(5), one Y(6), and one Cu(1) atom to form distorted OBa4YCu octahedra that share  a cornercorner with one O(20)Ba4Cu2 octahedra,  a cornercorner with one O(13)Ba4YCu octahedra, corners with two equivalent O(16)Ba4YCu octahedra,  a cornercorner with one O(18)Ba4Cu square pyramid,  a cornercorner with one O(11)Y4 tetrahedra,  a cornercorner with one O(8)Y4 tetrahedra, edges with two equivalent O(18)Ba4Cu square pyramids, and  a faceface with one O(20)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-50°. In the seventeenth O site, O(17) is bonded in a 6-coordinate geometry to one Ba(4), one Ba(5), two equivalent Ba(6), one Y(5), and one Cu(2) atom. In the eighteenth O site, O(18) is bonded to one Ba(5), one Ba(6), two equivalent Ba(4), and one Cu(3) atom to form distorted OBa4Cu square pyramids that share  a cornercorner with one O(15)Ba4Cu2 octahedra,  a cornercorner with one O(20)Ba4Cu2 octahedra,  a cornercorner with one O(16)Ba4YCu octahedra, corners with two equivalent O(18)Ba4Cu square pyramids, edges with two equivalent O(16)Ba4YCu octahedra, and  a faceface with one O(20)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 7-68°. In the nineteenth O site, O(19) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(6), one Cu(1), and one Cu(2) atom. In the twentieth O site, O(20) is bonded to one Ba(1), one Ba(2), one Ba(4), one Ba(5), one Cu(1), and one Cu(3) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(6)Ba2Y2Cu2 octahedra,  a cornercorner with one O(15)Ba4Cu2 octahedra,  a cornercorner with one O(13)Ba4YCu octahedra,  a cornercorner with one O(16)Ba4YCu octahedra,  a cornercorner with one O(18)Ba4Cu square pyramid,  a faceface with one O(15)Ba4Cu2 octahedra,  a faceface with one O(13)Ba4YCu octahedra,  a faceface with one O(16)Ba4YCu octahedra, and  a faceface with one O(18)Ba4Cu square pyramid. The corner-sharing octahedral tilt angles range from 50-75°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Y3Cu3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.692
_cell_length_b   9.155
_cell_length_c   13.014
_cell_angle_alpha   97.315
_cell_angle_beta   78.059
_cell_angle_gamma   69.071
_symmetry_Int_Tables_number   1
_cell_volume   604.545
_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
  Ba  Ba0  1  0.215  0.914  0.685  1.0
  Ba  Ba1  1  0.894  0.549  0.657  1.0
  Ba  Ba2  1  0.539  0.211  0.689  1.0
  Ba  Ba3  1  0.465  0.772  0.339  1.0
  Ba  Ba4  1  0.095  0.477  0.347  1.0
  Ba  Ba5  1  0.752  0.110  0.355  1.0
  Y  Y6  1  0.664  0.669  1.000  1.0
  Y  Y7  1  0.343  0.329  0.993  1.0
  Y  Y8  1  0.002  0.997  0.992  1.0
  Y  Y9  1  0.275  0.612  0.835  1.0
  Y  Y10  1  0.383  0.051  0.164  1.0
  Y  Y11  1  0.730  0.388  0.160  1.0
  Cu  Cu12  1  0.501  0.498  0.502  1.0
  Cu  Cu13  1  0.155  0.165  0.492  1.0
  Cu  Cu14  1  0.846  0.840  0.508  1.0
  Cu  Cu15  1  0.587  0.959  0.866  1.0
  Cu  Cu16  1  0.923  0.286  0.870  1.0
  Cu  Cu17  1  0.083  0.709  0.124  1.0
  O  O18  1  0.414  0.801  0.880  1.0
  O  O19  1  0.074  0.453  0.885  1.0
  O  O20  1  0.749  0.127  0.876  1.0
  O  O21  1  0.890  0.806  0.896  1.0
  O  O22  1  0.588  0.454  0.890  1.0
  O  O23  1  0.256  0.120  0.860  1.0
  O  O24  1  0.931  0.545  0.118  1.0
  O  O25  1  0.594  0.200  0.108  1.0
  O  O26  1  0.248  0.866  0.108  1.0
  O  O27  1  0.415  0.545  0.111  1.0
  O  O28  1  0.110  0.195  0.084  1.0
  O  O29  1  0.760  0.862  0.119  1.0
  O  O30  1  0.388  0.551  0.664  1.0
  O  O31  1  0.035  0.201  0.638  1.0
  O  O32  1  0.758  0.894  0.656  1.0
  O  O33  1  0.629  0.438  0.333  1.0
  O  O34  1  0.257  0.105  0.339  1.0
  O  O35  1  0.962  0.800  0.360  1.0
  O  O36  1  0.332  0.350  0.496  1.0
  O  O37  1  0.660  0.651  0.500  1.0
[/CIF]
.