The structure described by Sr5Nd3CeCu4PbO18 crystallizes in the orthorhombic Amm2 space group. There are five 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), and four equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(8), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(8), two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. In the fifth Sr site, Sr(5) is bonded to one O(1), one O(4), two equivalent O(8), and two equivalent O(9) atoms to form SrO6 octahedra that share corners with four equivalent Sr(5)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one Cu(4)O5 square pyramid, and edges with four equivalent Pb(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Nd sites. In the first Nd site, Nd(1,2) is bonded in a body-centered cubic geometry to four equivalent O(5) and four equivalent O(7) atoms. In the second Nd site, Nd(3) is bonded in a body-centered cubic geometry to four equivalent O(6) and four equivalent O(7) atoms. Ce(1) is bonded in a body-centered cubic geometry to four equivalent O(6) and four equivalent O(7) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1) and four equivalent O(5) atoms to form CuO5 square pyramids that share  a cornercorner with one Sr(5)O6 octahedra and corners with four equivalent Cu(2)O5 square pyramids. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to one O(2) and four equivalent O(5) atoms to form CuO5 square pyramids that share  a cornercorner with one Pb(1)O6 octahedra and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedra are not tilted. In the third Cu site, Cu(3) is bonded to one O(3) and four equivalent O(6) atoms to form CuO5 square pyramids that share  a cornercorner with one Pb(1)O6 octahedra and corners with four equivalent Cu(4)O5 square pyramids. The corner-sharing octahedra are not tilted. In the fourth Cu site, Cu(4) is bonded to one O(4) and four equivalent O(6) atoms to form CuO5 square pyramids that share  a cornercorner with one Sr(5)O6 octahedra and corners with four equivalent Cu(3)O5 square pyramids. The corner-sharing octahedra are not tilted. Pb(1) is bonded to one O(2), one O(3), two equivalent O(8), and two equivalent O(9) atoms to form PbO6 octahedra that share corners with four equivalent Pb(1)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid,  a cornercorner with one Cu(3)O5 square pyramid, and edges with four equivalent Sr(5)O6 octahedra. The corner-sharing octahedra are not tilted. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Sr(5), two equivalent Sr(1), two equivalent Sr(2), and one Cu(1) atom to form distorted OSr5Cu octahedra that share  a cornercorner with one O(4)Sr5Cu octahedra, corners with four equivalent O(1)Sr5Cu octahedra, corners with eight equivalent O(5)Sr2Nd2Cu2 octahedra, edges with two equivalent O(8)Sr4Pb2 octahedra, edges with two equivalent O(9)Sr4Pb2 octahedra, edges with four equivalent O(2)Sr4CuPb octahedra, and faces with four equivalent O(5)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cu(2), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share  a cornercorner with one O(3)Sr4CuPb octahedra, corners with four equivalent O(2)Sr4CuPb octahedra, corners with eight equivalent O(5)Sr2Nd2Cu2 octahedra, edges with two equivalent O(8)Sr4Pb2 octahedra, edges with two equivalent O(9)Sr4Pb2 octahedra, edges with four equivalent O(1)Sr5Cu octahedra, and faces with four equivalent O(5)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the third O site, O(3) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Cu(3), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share  a cornercorner with one O(2)Sr4CuPb octahedra, corners with four equivalent O(3)Sr4CuPb octahedra, corners with eight equivalent O(6)Sr2CeNdCu2 octahedra, edges with two equivalent O(8)Sr4Pb2 octahedra, edges with two equivalent O(9)Sr4Pb2 octahedra, edges with four equivalent O(4)Sr5Cu octahedra, and faces with four equivalent O(6)Sr2CeNdCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the fourth O site, O(4) is bonded to one Sr(5), two equivalent Sr(3), two equivalent Sr(4), and one Cu(4) atom to form distorted OSr5Cu octahedra that share  a cornercorner with one O(1)Sr5Cu octahedra, corners with four equivalent O(4)Sr5Cu octahedra, corners with eight equivalent O(6)Sr2CeNdCu2 octahedra, edges with two equivalent O(8)Sr4Pb2 octahedra, edges with two equivalent O(9)Sr4Pb2 octahedra, edges with four equivalent O(3)Sr4CuPb octahedra, and faces with four equivalent O(6)Sr2CeNdCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the fifth O site, O(5) is bonded to one Sr(1); one Sr(2); two equivalent Nd(1,2); one Cu(1); and one Cu(2) atom to form distorted OSr2Nd2Cu2 octahedra that share  a cornercorner with one O(8)Sr4Pb2 octahedra,  a cornercorner with one O(9)Sr4Pb2 octahedra, corners with two equivalent O(5)Sr2Nd2Cu2 octahedra, corners with two equivalent O(2)Sr4CuPb octahedra, corners with two equivalent O(1)Sr5Cu octahedra, corners with six equivalent O(7)CeNd3 tetrahedra, edges with two equivalent O(5)Sr2Nd2Cu2 octahedra,  an edgeedge with one O(7)CeNd3 tetrahedra,  a faceface with one O(2)Sr4CuPb octahedra,  a faceface with one O(1)Sr5Cu octahedra, and faces with four equivalent O(5)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 8-55°. In the sixth O site, O(6) is bonded to one Sr(3), one Sr(4), one Nd(3), one Ce(1), one Cu(3), and one Cu(4) atom to form distorted OSr2CeNdCu2 octahedra that share  a cornercorner with one O(8)Sr4Pb2 octahedra,  a cornercorner with one O(9)Sr4Pb2 octahedra, corners with two equivalent O(6)Sr2CeNdCu2 octahedra, corners with two equivalent O(3)Sr4CuPb octahedra, corners with two equivalent O(4)Sr5Cu octahedra, corners with six equivalent O(7)CeNd3 tetrahedra, edges with two equivalent O(6)Sr2CeNdCu2 octahedra,  an edgeedge with one O(7)CeNd3 tetrahedra,  a faceface with one O(3)Sr4CuPb octahedra,  a faceface with one O(4)Sr5Cu octahedra, and faces with four equivalent O(6)Sr2CeNdCu2 octahedra. The corner-sharing octahedral tilt angles range from 9-55°. In the seventh O site, O(7) is bonded to one Nd(3); two equivalent Nd(1,2); and one Ce(1) atom to form OCeNd3 tetrahedra that share corners with six equivalent O(6)Sr2CeNdCu2 octahedra, corners with six equivalent O(5)Sr2Nd2Cu2 octahedra, corners with four equivalent O(7)CeNd3 tetrahedra,  an edgeedge with one O(6)Sr2CeNdCu2 octahedra,  an edgeedge with one O(5)Sr2Nd2Cu2 octahedra, and edges with four equivalent O(7)CeNd3 tetrahedra. The corner-sharing octahedral tilt angles range from 7-70°. In the eighth O site, O(8) is bonded to one Sr(2), one Sr(3), two equivalent Sr(5), and two equivalent Pb(1) atoms to form OSr4Pb2 octahedra that share corners with four equivalent O(6)Sr2CeNdCu2 octahedra, corners with four equivalent O(5)Sr2Nd2Cu2 octahedra, corners with four equivalent O(8)Sr4Pb2 octahedra, edges with two equivalent O(2)Sr4CuPb octahedra, edges with two equivalent O(3)Sr4CuPb octahedra, edges with two equivalent O(1)Sr5Cu octahedra, edges with two equivalent O(4)Sr5Cu octahedra, and edges with four equivalent O(9)Sr4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. In the ninth O site, O(9) is bonded to one Sr(1), one Sr(4), two equivalent Sr(5), and two equivalent Pb(1) atoms to form OSr4Pb2 octahedra that share corners with four equivalent O(6)Sr2CeNdCu2 octahedra, corners with four equivalent O(5)Sr2Nd2Cu2 octahedra, corners with four equivalent O(9)Sr4Pb2 octahedra, edges with two equivalent O(2)Sr4CuPb octahedra, edges with two equivalent O(3)Sr4CuPb octahedra, edges with two equivalent O(1)Sr5Cu octahedra, edges with two equivalent O(4)Sr5Cu octahedra, and edges with four equivalent O(8)Sr4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5CeNd3Cu4PbO18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.421
_cell_length_b   15.421
_cell_length_c   5.476
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   159.535
_symmetry_Int_Tables_number   1
_cell_volume   455.336
_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  0.912  0.088  0.500  1.0
  Sr  Sr1  1  0.412  0.588  0.000  1.0
  Sr  Sr2  1  0.588  0.412  0.000  1.0
  Sr  Sr3  1  0.087  0.913  0.500  1.0
  Sr  Sr4  1  0.000  1.000  0.000  1.0
  Ce  Ce5  1  0.709  0.291  0.000  1.0
  Nd  Nd6  1  0.293  0.707  0.000  1.0
  Nd  Nd7  1  0.793  0.207  0.500  1.0
  Nd  Nd8  1  0.206  0.794  0.500  1.0
  Cu  Cu9  1  0.858  0.142  0.000  1.0
  Cu  Cu10  1  0.354  0.646  0.500  1.0
  Cu  Cu11  1  0.647  0.353  0.500  1.0
  Cu  Cu12  1  0.143  0.857  0.000  1.0
  Pb  Pb13  1  0.500  0.500  0.500  1.0
  O  O14  1  0.923  0.077  0.000  1.0
  O  O15  1  0.430  0.570  0.500  1.0
  O  O16  1  0.570  0.430  0.500  1.0
  O  O17  1  0.077  0.923  0.000  1.0
  O  O18  1  0.103  0.404  0.747  1.0
  O  O19  1  0.596  0.897  0.253  1.0
  O  O20  1  0.596  0.897  0.747  1.0
  O  O21  1  0.103  0.404  0.253  1.0
  O  O22  1  0.407  0.105  0.749  1.0
  O  O23  1  0.895  0.593  0.251  1.0
  O  O24  1  0.895  0.593  0.749  1.0
  O  O25  1  0.407  0.105  0.251  1.0
  O  O26  1  0.993  0.496  0.756  1.0
  O  O27  1  0.504  0.007  0.244  1.0
  O  O28  1  0.504  0.007  0.756  1.0
  O  O29  1  0.993  0.496  0.244  1.0
  O  O30  1  0.500  0.500  0.000  1.0
  O  O31  1  0.000  1.000  0.500  1.0
[/CIF]
.
The structure described by Sr5Nd3CeCu4PbO18 crystallizes in the orthorhombic Amm2 space group. There are five 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), and four equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(8), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(8), two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. In the fifth Sr site, Sr(5) is bonded to one O(1), one O(4), two equivalent O(8), and two equivalent O(9) atoms to form SrO6 octahedra that share corners with four equivalent Sr(5)O6 octahedra,  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one Cu(4)O5 square pyramid, and edges with four equivalent Pb(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Nd sites. In the first Nd site, Nd(1,2) is bonded in a body-centered cubic geometry to four equivalent O(5) and four equivalent O(7) atoms. In the second Nd site, Nd(3) is bonded in a body-centered cubic geometry to four equivalent O(6) and four equivalent O(7) atoms. Ce(1) is bonded in a body-centered cubic geometry to four equivalent O(6) and four equivalent O(7) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1) and four equivalent O(5) atoms to form CuO5 square pyramids that share  a cornercorner with one Sr(5)O6 octahedra and corners with four equivalent Cu(2)O5 square pyramids. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to one O(2) and four equivalent O(5) atoms to form CuO5 square pyramids that share  a cornercorner with one Pb(1)O6 octahedra and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedra are not tilted. In the third Cu site, Cu(3) is bonded to one O(3) and four equivalent O(6) atoms to form CuO5 square pyramids that share  a cornercorner with one Pb(1)O6 octahedra and corners with four equivalent Cu(4)O5 square pyramids. The corner-sharing octahedra are not tilted. In the fourth Cu site, Cu(4) is bonded to one O(4) and four equivalent O(6) atoms to form CuO5 square pyramids that share  a cornercorner with one Sr(5)O6 octahedra and corners with four equivalent Cu(3)O5 square pyramids. The corner-sharing octahedra are not tilted. Pb(1) is bonded to one O(2), one O(3), two equivalent O(8), and two equivalent O(9) atoms to form PbO6 octahedra that share corners with four equivalent Pb(1)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid,  a cornercorner with one Cu(3)O5 square pyramid, and edges with four equivalent Sr(5)O6 octahedra. The corner-sharing octahedra are not tilted. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Sr(5), two equivalent Sr(1), two equivalent Sr(2), and one Cu(1) atom to form distorted OSr5Cu octahedra that share  a cornercorner with one O(4)Sr5Cu octahedra, corners with four equivalent O(1)Sr5Cu octahedra, corners with eight equivalent O(5)Sr2Nd2Cu2 octahedra, edges with two equivalent O(8)Sr4Pb2 octahedra, edges with two equivalent O(9)Sr4Pb2 octahedra, edges with four equivalent O(2)Sr4CuPb octahedra, and faces with four equivalent O(5)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Cu(2), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share  a cornercorner with one O(3)Sr4CuPb octahedra, corners with four equivalent O(2)Sr4CuPb octahedra, corners with eight equivalent O(5)Sr2Nd2Cu2 octahedra, edges with two equivalent O(8)Sr4Pb2 octahedra, edges with two equivalent O(9)Sr4Pb2 octahedra, edges with four equivalent O(1)Sr5Cu octahedra, and faces with four equivalent O(5)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-50°. In the third O site, O(3) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Cu(3), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share  a cornercorner with one O(2)Sr4CuPb octahedra, corners with four equivalent O(3)Sr4CuPb octahedra, corners with eight equivalent O(6)Sr2CeNdCu2 octahedra, edges with two equivalent O(8)Sr4Pb2 octahedra, edges with two equivalent O(9)Sr4Pb2 octahedra, edges with four equivalent O(4)Sr5Cu octahedra, and faces with four equivalent O(6)Sr2CeNdCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the fourth O site, O(4) is bonded to one Sr(5), two equivalent Sr(3), two equivalent Sr(4), and one Cu(4) atom to form distorted OSr5Cu octahedra that share  a cornercorner with one O(1)Sr5Cu octahedra, corners with four equivalent O(4)Sr5Cu octahedra, corners with eight equivalent O(6)Sr2CeNdCu2 octahedra, edges with two equivalent O(8)Sr4Pb2 octahedra, edges with two equivalent O(9)Sr4Pb2 octahedra, edges with four equivalent O(3)Sr4CuPb octahedra, and faces with four equivalent O(6)Sr2CeNdCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the fifth O site, O(5) is bonded to one Sr(1); one Sr(2); two equivalent Nd(1,2); one Cu(1); and one Cu(2) atom to form distorted OSr2Nd2Cu2 octahedra that share  a cornercorner with one O(8)Sr4Pb2 octahedra,  a cornercorner with one O(9)Sr4Pb2 octahedra, corners with two equivalent O(5)Sr2Nd2Cu2 octahedra, corners with two equivalent O(2)Sr4CuPb octahedra, corners with two equivalent O(1)Sr5Cu octahedra, corners with six equivalent O(7)CeNd3 tetrahedra, edges with two equivalent O(5)Sr2Nd2Cu2 octahedra,  an edgeedge with one O(7)CeNd3 tetrahedra,  a faceface with one O(2)Sr4CuPb octahedra,  a faceface with one O(1)Sr5Cu octahedra, and faces with four equivalent O(5)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 8-55°. In the sixth O site, O(6) is bonded to one Sr(3), one Sr(4), one Nd(3), one Ce(1), one Cu(3), and one Cu(4) atom to form distorted OSr2CeNdCu2 octahedra that share  a cornercorner with one O(8)Sr4Pb2 octahedra,  a cornercorner with one O(9)Sr4Pb2 octahedra, corners with two equivalent O(6)Sr2CeNdCu2 octahedra, corners with two equivalent O(3)Sr4CuPb octahedra, corners with two equivalent O(4)Sr5Cu octahedra, corners with six equivalent O(7)CeNd3 tetrahedra, edges with two equivalent O(6)Sr2CeNdCu2 octahedra,  an edgeedge with one O(7)CeNd3 tetrahedra,  a faceface with one O(3)Sr4CuPb octahedra,  a faceface with one O(4)Sr5Cu octahedra, and faces with four equivalent O(6)Sr2CeNdCu2 octahedra. The corner-sharing octahedral tilt angles range from 9-55°. In the seventh O site, O(7) is bonded to one Nd(3); two equivalent Nd(1,2); and one Ce(1) atom to form OCeNd3 tetrahedra that share corners with six equivalent O(6)Sr2CeNdCu2 octahedra, corners with six equivalent O(5)Sr2Nd2Cu2 octahedra, corners with four equivalent O(7)CeNd3 tetrahedra,  an edgeedge with one O(6)Sr2CeNdCu2 octahedra,  an edgeedge with one O(5)Sr2Nd2Cu2 octahedra, and edges with four equivalent O(7)CeNd3 tetrahedra. The corner-sharing octahedral tilt angles range from 7-70°. In the eighth O site, O(8) is bonded to one Sr(2), one Sr(3), two equivalent Sr(5), and two equivalent Pb(1) atoms to form OSr4Pb2 octahedra that share corners with four equivalent O(6)Sr2CeNdCu2 octahedra, corners with four equivalent O(5)Sr2Nd2Cu2 octahedra, corners with four equivalent O(8)Sr4Pb2 octahedra, edges with two equivalent O(2)Sr4CuPb octahedra, edges with two equivalent O(3)Sr4CuPb octahedra, edges with two equivalent O(1)Sr5Cu octahedra, edges with two equivalent O(4)Sr5Cu octahedra, and edges with four equivalent O(9)Sr4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. In the ninth O site, O(9) is bonded to one Sr(1), one Sr(4), two equivalent Sr(5), and two equivalent Pb(1) atoms to form OSr4Pb2 octahedra that share corners with four equivalent O(6)Sr2CeNdCu2 octahedra, corners with four equivalent O(5)Sr2Nd2Cu2 octahedra, corners with four equivalent O(9)Sr4Pb2 octahedra, edges with two equivalent O(2)Sr4CuPb octahedra, edges with two equivalent O(3)Sr4CuPb octahedra, edges with two equivalent O(1)Sr5Cu octahedra, edges with two equivalent O(4)Sr5Cu octahedra, and edges with four equivalent O(8)Sr4Pb2 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5CeNd3Cu4PbO18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.421
_cell_length_b   15.421
_cell_length_c   5.476
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   159.535
_symmetry_Int_Tables_number   1
_cell_volume   455.336
_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  0.912  0.088  0.500  1.0
  Sr  Sr1  1  0.412  0.588  0.000  1.0
  Sr  Sr2  1  0.588  0.412  0.000  1.0
  Sr  Sr3  1  0.087  0.913  0.500  1.0
  Sr  Sr4  1  0.000  1.000  0.000  1.0
  Ce  Ce5  1  0.709  0.291  0.000  1.0
  Nd  Nd6  1  0.293  0.707  0.000  1.0
  Nd  Nd7  1  0.793  0.207  0.500  1.0
  Nd  Nd8  1  0.206  0.794  0.500  1.0
  Cu  Cu9  1  0.858  0.142  0.000  1.0
  Cu  Cu10  1  0.354  0.646  0.500  1.0
  Cu  Cu11  1  0.647  0.353  0.500  1.0
  Cu  Cu12  1  0.143  0.857  0.000  1.0
  Pb  Pb13  1  0.500  0.500  0.500  1.0
  O  O14  1  0.923  0.077  0.000  1.0
  O  O15  1  0.430  0.570  0.500  1.0
  O  O16  1  0.570  0.430  0.500  1.0
  O  O17  1  0.077  0.923  0.000  1.0
  O  O18  1  0.103  0.404  0.747  1.0
  O  O19  1  0.596  0.897  0.253  1.0
  O  O20  1  0.596  0.897  0.747  1.0
  O  O21  1  0.103  0.404  0.253  1.0
  O  O22  1  0.407  0.105  0.749  1.0
  O  O23  1  0.895  0.593  0.251  1.0
  O  O24  1  0.895  0.593  0.749  1.0
  O  O25  1  0.407  0.105  0.251  1.0
  O  O26  1  0.993  0.496  0.756  1.0
  O  O27  1  0.504  0.007  0.244  1.0
  O  O28  1  0.504  0.007  0.756  1.0
  O  O29  1  0.993  0.496  0.244  1.0
  O  O30  1  0.500  0.500  0.000  1.0
  O  O31  1  0.000  1.000  0.500  1.0
[/CIF]
.