The material described by Sr4Y2Cu5Ga(PbO4)4 crystallizes in the monoclinic Cm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(10), two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(11), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(12), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(11) and one O(9) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(10) and one O(12) atom. In the third Cu site, Cu(3) is bonded to one O(2), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded to one O(1), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. In the fifth Cu site, Cu(5) is bonded to one O(4), two equivalent O(7), and two equivalent O(8) atoms to form CuO5 square pyramids that share corners with four equivalent Ga(1)O5 square pyramids. Ga(1) is bonded to one O(3), two equivalent O(7), and two equivalent O(8) atoms to form GaO5 square pyramids that share corners with four equivalent Cu(5)O5 square pyramids. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), and two equivalent O(9) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(2), one O(9), and two equivalent O(10) atoms. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to one O(12), one O(3), and two equivalent O(11) atoms. In the fourth Pb site, Pb(4) is bonded in a 4-coordinate geometry to one O(11), one O(4), and two equivalent O(12) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cu(4), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(5)Sr2Y2Cu2 octahedra, corners with four equivalent O(6)Sr2Y2Cu2 octahedra, corners with four equivalent O(1)Sr4CuPb octahedra, edges with four equivalent O(2)Sr4CuPb octahedra, faces with two equivalent O(5)Sr2Y2Cu2 octahedra, and faces with two equivalent O(6)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 22-52°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cu(3), and one Pb(2) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(5)Sr2Y2Cu2 octahedra, corners with four equivalent O(6)Sr2Y2Cu2 octahedra, corners with four equivalent O(2)Sr4CuPb octahedra, edges with four equivalent O(1)Sr4CuPb octahedra, faces with two equivalent O(5)Sr2Y2Cu2 octahedra, and faces with two equivalent O(6)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 21-52°. In the third O site, O(3) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Ga(1), and one Pb(3) atom to form distorted OSr4GaPb octahedra that share corners with four equivalent O(7)Sr2Y2GaCu octahedra, corners with four equivalent O(8)Sr2Y2GaCu octahedra, corners with four equivalent O(3)Sr4GaPb octahedra, edges with four equivalent O(4)Sr4CuPb octahedra, faces with two equivalent O(7)Sr2Y2GaCu octahedra, and faces with two equivalent O(8)Sr2Y2GaCu octahedra. The corner-sharing octahedral tilt angles range from 15-53°. In the fourth O site, O(4) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Cu(5), and one Pb(4) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(7)Sr2Y2GaCu octahedra, corners with four equivalent O(8)Sr2Y2GaCu octahedra, corners with four equivalent O(4)Sr4CuPb octahedra, edges with four equivalent O(3)Sr4GaPb octahedra, faces with two equivalent O(7)Sr2Y2GaCu octahedra, and faces with two equivalent O(8)Sr2Y2GaCu octahedra. The corner-sharing octahedral tilt angles range from 21-53°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Y(1), one Y(2), one Cu(3), and one Cu(4) atom to form distorted OSr2Y2Cu2 octahedra that share corners with two equivalent O(6)Sr2Y2Cu2 octahedra, corners with two equivalent O(7)Sr2Y2GaCu octahedra, corners with two equivalent O(1)Sr4CuPb octahedra, corners with two equivalent O(2)Sr4CuPb octahedra, corners with four equivalent O(8)Sr2Y2GaCu octahedra,  an edgeedge with one O(7)Sr2Y2GaCu octahedra, edges with two equivalent O(6)Sr2Y2Cu2 octahedra,  a faceface with one O(1)Sr4CuPb octahedra,  a faceface with one O(2)Sr4CuPb octahedra, faces with two equivalent O(5)Sr2Y2Cu2 octahedra, and faces with two equivalent O(6)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-70°. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Y(1), one Y(2), one Cu(3), and one Cu(4) atom to form distorted OSr2Y2Cu2 octahedra that share corners with two equivalent O(5)Sr2Y2Cu2 octahedra, corners with two equivalent O(8)Sr2Y2GaCu octahedra, corners with two equivalent O(1)Sr4CuPb octahedra, corners with two equivalent O(2)Sr4CuPb octahedra, corners with four equivalent O(7)Sr2Y2GaCu octahedra,  an edgeedge with one O(8)Sr2Y2GaCu octahedra, edges with two equivalent O(5)Sr2Y2Cu2 octahedra,  a faceface with one O(1)Sr4CuPb octahedra,  a faceface with one O(2)Sr4CuPb octahedra, faces with two equivalent O(5)Sr2Y2Cu2 octahedra, and faces with two equivalent O(6)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-70°. In the seventh O site, O(7) is bonded to one Sr(3), one Sr(4), one Y(1), one Y(2), one Cu(5), and one Ga(1) atom to form distorted OSr2Y2GaCu octahedra that share corners with two equivalent O(5)Sr2Y2Cu2 octahedra, corners with two equivalent O(8)Sr2Y2GaCu octahedra, corners with two equivalent O(4)Sr4CuPb octahedra, corners with two equivalent O(3)Sr4GaPb octahedra, corners with four equivalent O(6)Sr2Y2Cu2 octahedra,  an edgeedge with one O(5)Sr2Y2Cu2 octahedra, edges with two equivalent O(8)Sr2Y2GaCu octahedra,  a faceface with one O(4)Sr4CuPb octahedra,  a faceface with one O(3)Sr4GaPb octahedra, faces with two equivalent O(7)Sr2Y2GaCu octahedra, and faces with two equivalent O(8)Sr2Y2GaCu octahedra. The corner-sharing octahedral tilt angles range from 2-70°. In the eighth O site, O(8) is bonded to one Sr(3), one Sr(4), one Y(1), one Y(2), one Cu(5), and one Ga(1) atom to form distorted OSr2Y2GaCu octahedra that share corners with two equivalent O(6)Sr2Y2Cu2 octahedra, corners with two equivalent O(7)Sr2Y2GaCu octahedra, corners with two equivalent O(4)Sr4CuPb octahedra, corners with two equivalent O(3)Sr4GaPb octahedra, corners with four equivalent O(5)Sr2Y2Cu2 octahedra,  an edgeedge with one O(6)Sr2Y2Cu2 octahedra, edges with two equivalent O(7)Sr2Y2GaCu octahedra,  a faceface with one O(4)Sr4CuPb octahedra,  a faceface with one O(3)Sr4GaPb octahedra, faces with two equivalent O(7)Sr2Y2GaCu octahedra, and faces with two equivalent O(8)Sr2Y2GaCu octahedra. The corner-sharing octahedral tilt angles range from 2-70°. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Cu(1), one Pb(2), and two equivalent Pb(1) atoms. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Sr(2), one Cu(2), one Pb(1), and two equivalent Pb(2) atoms. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(3), one Cu(1), one Pb(4), and two equivalent Pb(3) atoms. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(4), one Cu(2), one Pb(3), and two equivalent Pb(4) atoms. is represented by the CIF file [CIF]
data_Sr4Y2GaCu5(PbO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.265
_cell_length_b   16.265
_cell_length_c   5.487
_cell_angle_alpha   80.950
_cell_angle_beta   80.950
_cell_angle_gamma   19.333
_symmetry_Int_Tables_number   1
_cell_volume   474.409
_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
  Sr  Sr0  1  0.890  0.890  0.107  1.0
  Sr  Sr1  1  0.390  0.390  0.607  1.0
  Sr  Sr2  1  0.610  0.610  0.393  1.0
  Sr  Sr3  1  0.109  0.109  0.894  1.0
  Y  Y4  1  0.499  0.499  0.502  1.0
  Y  Y5  1  0.999  0.999  0.001  1.0
  Ga  Ga6  1  0.058  0.058  0.442  1.0
  Cu  Cu7  1  0.750  0.750  0.250  1.0
  Cu  Cu8  1  0.250  0.250  0.752  1.0
  Cu  Cu9  1  0.949  0.949  0.551  1.0
  Cu  Cu10  1  0.449  0.449  0.051  1.0
  Cu  Cu11  1  0.553  0.553  0.947  1.0
  Pb  Pb12  1  0.306  0.306  0.200  1.0
  Pb  Pb13  1  0.806  0.806  0.698  1.0
  Pb  Pb14  1  0.194  0.194  0.298  1.0
  Pb  Pb15  1  0.695  0.695  0.802  1.0
  O  O16  1  0.373  0.373  0.122  1.0
  O  O17  1  0.874  0.874  0.622  1.0
  O  O18  1  0.121  0.121  0.382  1.0
  O  O19  1  0.626  0.626  0.879  1.0
  O  O20  1  0.204  0.704  0.296  1.0
  O  O21  1  0.703  0.205  0.796  1.0
  O  O22  1  0.803  0.290  0.210  1.0
  O  O23  1  0.290  0.804  0.696  1.0
  O  O24  1  0.804  0.290  0.696  1.0
  O  O25  1  0.290  0.803  0.210  1.0
  O  O26  1  0.205  0.703  0.796  1.0
  O  O27  1  0.704  0.204  0.296  1.0
  O  O28  1  0.808  0.808  0.143  1.0
  O  O29  1  0.308  0.308  0.641  1.0
  O  O30  1  0.692  0.692  0.355  1.0
  O  O31  1  0.192  0.192  0.863  1.0
[/CIF]
.
The material described by Sr4Y2Cu5Ga(PbO4)4 crystallizes in the monoclinic Cm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(10), two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(11), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(12), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(11) and one O(9) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(10) and one O(12) atom. In the third Cu site, Cu(3) is bonded to one O(2), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded to one O(1), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. In the fifth Cu site, Cu(5) is bonded to one O(4), two equivalent O(7), and two equivalent O(8) atoms to form CuO5 square pyramids that share corners with four equivalent Ga(1)O5 square pyramids. Ga(1) is bonded to one O(3), two equivalent O(7), and two equivalent O(8) atoms to form GaO5 square pyramids that share corners with four equivalent Cu(5)O5 square pyramids. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), and two equivalent O(9) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(2), one O(9), and two equivalent O(10) atoms. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to one O(12), one O(3), and two equivalent O(11) atoms. In the fourth Pb site, Pb(4) is bonded in a 4-coordinate geometry to one O(11), one O(4), and two equivalent O(12) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cu(4), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(5)Sr2Y2Cu2 octahedra, corners with four equivalent O(6)Sr2Y2Cu2 octahedra, corners with four equivalent O(1)Sr4CuPb octahedra, edges with four equivalent O(2)Sr4CuPb octahedra, faces with two equivalent O(5)Sr2Y2Cu2 octahedra, and faces with two equivalent O(6)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 22-52°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cu(3), and one Pb(2) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(5)Sr2Y2Cu2 octahedra, corners with four equivalent O(6)Sr2Y2Cu2 octahedra, corners with four equivalent O(2)Sr4CuPb octahedra, edges with four equivalent O(1)Sr4CuPb octahedra, faces with two equivalent O(5)Sr2Y2Cu2 octahedra, and faces with two equivalent O(6)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 21-52°. In the third O site, O(3) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Ga(1), and one Pb(3) atom to form distorted OSr4GaPb octahedra that share corners with four equivalent O(7)Sr2Y2GaCu octahedra, corners with four equivalent O(8)Sr2Y2GaCu octahedra, corners with four equivalent O(3)Sr4GaPb octahedra, edges with four equivalent O(4)Sr4CuPb octahedra, faces with two equivalent O(7)Sr2Y2GaCu octahedra, and faces with two equivalent O(8)Sr2Y2GaCu octahedra. The corner-sharing octahedral tilt angles range from 15-53°. In the fourth O site, O(4) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Cu(5), and one Pb(4) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(7)Sr2Y2GaCu octahedra, corners with four equivalent O(8)Sr2Y2GaCu octahedra, corners with four equivalent O(4)Sr4CuPb octahedra, edges with four equivalent O(3)Sr4GaPb octahedra, faces with two equivalent O(7)Sr2Y2GaCu octahedra, and faces with two equivalent O(8)Sr2Y2GaCu octahedra. The corner-sharing octahedral tilt angles range from 21-53°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Y(1), one Y(2), one Cu(3), and one Cu(4) atom to form distorted OSr2Y2Cu2 octahedra that share corners with two equivalent O(6)Sr2Y2Cu2 octahedra, corners with two equivalent O(7)Sr2Y2GaCu octahedra, corners with two equivalent O(1)Sr4CuPb octahedra, corners with two equivalent O(2)Sr4CuPb octahedra, corners with four equivalent O(8)Sr2Y2GaCu octahedra,  an edgeedge with one O(7)Sr2Y2GaCu octahedra, edges with two equivalent O(6)Sr2Y2Cu2 octahedra,  a faceface with one O(1)Sr4CuPb octahedra,  a faceface with one O(2)Sr4CuPb octahedra, faces with two equivalent O(5)Sr2Y2Cu2 octahedra, and faces with two equivalent O(6)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-70°. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Y(1), one Y(2), one Cu(3), and one Cu(4) atom to form distorted OSr2Y2Cu2 octahedra that share corners with two equivalent O(5)Sr2Y2Cu2 octahedra, corners with two equivalent O(8)Sr2Y2GaCu octahedra, corners with two equivalent O(1)Sr4CuPb octahedra, corners with two equivalent O(2)Sr4CuPb octahedra, corners with four equivalent O(7)Sr2Y2GaCu octahedra,  an edgeedge with one O(8)Sr2Y2GaCu octahedra, edges with two equivalent O(5)Sr2Y2Cu2 octahedra,  a faceface with one O(1)Sr4CuPb octahedra,  a faceface with one O(2)Sr4CuPb octahedra, faces with two equivalent O(5)Sr2Y2Cu2 octahedra, and faces with two equivalent O(6)Sr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-70°. In the seventh O site, O(7) is bonded to one Sr(3), one Sr(4), one Y(1), one Y(2), one Cu(5), and one Ga(1) atom to form distorted OSr2Y2GaCu octahedra that share corners with two equivalent O(5)Sr2Y2Cu2 octahedra, corners with two equivalent O(8)Sr2Y2GaCu octahedra, corners with two equivalent O(4)Sr4CuPb octahedra, corners with two equivalent O(3)Sr4GaPb octahedra, corners with four equivalent O(6)Sr2Y2Cu2 octahedra,  an edgeedge with one O(5)Sr2Y2Cu2 octahedra, edges with two equivalent O(8)Sr2Y2GaCu octahedra,  a faceface with one O(4)Sr4CuPb octahedra,  a faceface with one O(3)Sr4GaPb octahedra, faces with two equivalent O(7)Sr2Y2GaCu octahedra, and faces with two equivalent O(8)Sr2Y2GaCu octahedra. The corner-sharing octahedral tilt angles range from 2-70°. In the eighth O site, O(8) is bonded to one Sr(3), one Sr(4), one Y(1), one Y(2), one Cu(5), and one Ga(1) atom to form distorted OSr2Y2GaCu octahedra that share corners with two equivalent O(6)Sr2Y2Cu2 octahedra, corners with two equivalent O(7)Sr2Y2GaCu octahedra, corners with two equivalent O(4)Sr4CuPb octahedra, corners with two equivalent O(3)Sr4GaPb octahedra, corners with four equivalent O(5)Sr2Y2Cu2 octahedra,  an edgeedge with one O(6)Sr2Y2Cu2 octahedra, edges with two equivalent O(7)Sr2Y2GaCu octahedra,  a faceface with one O(4)Sr4CuPb octahedra,  a faceface with one O(3)Sr4GaPb octahedra, faces with two equivalent O(7)Sr2Y2GaCu octahedra, and faces with two equivalent O(8)Sr2Y2GaCu octahedra. The corner-sharing octahedral tilt angles range from 2-70°. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Cu(1), one Pb(2), and two equivalent Pb(1) atoms. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Sr(2), one Cu(2), one Pb(1), and two equivalent Pb(2) atoms. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(3), one Cu(1), one Pb(4), and two equivalent Pb(3) atoms. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(4), one Cu(2), one Pb(3), and two equivalent Pb(4) atoms. is represented by the CIF file [CIF]
data_Sr4Y2GaCu5(PbO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.265
_cell_length_b   16.265
_cell_length_c   5.487
_cell_angle_alpha   80.950
_cell_angle_beta   80.950
_cell_angle_gamma   19.333
_symmetry_Int_Tables_number   1
_cell_volume   474.409
_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
  Sr  Sr0  1  0.890  0.890  0.107  1.0
  Sr  Sr1  1  0.390  0.390  0.607  1.0
  Sr  Sr2  1  0.610  0.610  0.393  1.0
  Sr  Sr3  1  0.109  0.109  0.894  1.0
  Y  Y4  1  0.499  0.499  0.502  1.0
  Y  Y5  1  0.999  0.999  0.001  1.0
  Ga  Ga6  1  0.058  0.058  0.442  1.0
  Cu  Cu7  1  0.750  0.750  0.250  1.0
  Cu  Cu8  1  0.250  0.250  0.752  1.0
  Cu  Cu9  1  0.949  0.949  0.551  1.0
  Cu  Cu10  1  0.449  0.449  0.051  1.0
  Cu  Cu11  1  0.553  0.553  0.947  1.0
  Pb  Pb12  1  0.306  0.306  0.200  1.0
  Pb  Pb13  1  0.806  0.806  0.698  1.0
  Pb  Pb14  1  0.194  0.194  0.298  1.0
  Pb  Pb15  1  0.695  0.695  0.802  1.0
  O  O16  1  0.373  0.373  0.122  1.0
  O  O17  1  0.874  0.874  0.622  1.0
  O  O18  1  0.121  0.121  0.382  1.0
  O  O19  1  0.626  0.626  0.879  1.0
  O  O20  1  0.204  0.704  0.296  1.0
  O  O21  1  0.703  0.205  0.796  1.0
  O  O22  1  0.803  0.290  0.210  1.0
  O  O23  1  0.290  0.804  0.696  1.0
  O  O24  1  0.804  0.290  0.696  1.0
  O  O25  1  0.290  0.803  0.210  1.0
  O  O26  1  0.205  0.703  0.796  1.0
  O  O27  1  0.704  0.204  0.296  1.0
  O  O28  1  0.808  0.808  0.143  1.0
  O  O29  1  0.308  0.308  0.641  1.0
  O  O30  1  0.692  0.692  0.355  1.0
  O  O31  1  0.192  0.192  0.863  1.0
[/CIF]
.