The crystal structure described by La8Cu3O16 crystallizes in the triclinic P-1 space group. There are eight inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(16), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(15), one O(16), one O(8), and two equivalent O(6) atoms. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(2), one O(3), one O(4), one O(5), one O(9), and two equivalent O(7) atoms. In the fifth La site, La(5) is bonded in a 9-coordinate geometry to one O(12), one O(13), one O(14), one O(15), one O(16), one O(2), one O(7), one O(8), and one O(9) atom. In the sixth La site, La(6) is bonded in a 9-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(6), one O(8), one O(9), and two equivalent O(11) atoms. In the seventh La site, La(7) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(5), one O(7), and two equivalent O(12) atoms. In the eighth La site, La(8) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(15), one O(16), one O(5), one O(7), and one O(8) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Cu site, Cu(2) is bonded to one O(1), one O(10), one O(6), one O(7), one O(8), and one O(9) atom to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the third Cu site, Cu(3) is bonded to one O(10), one O(11), one O(12), one O(14), one O(3), and one O(9) atom to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the fourth Cu site, Cu(4) is bonded to two equivalent O(14), two equivalent O(15), and two equivalent O(16) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one La(2), one La(4), one La(7), one Cu(1), and one Cu(2) atom to form distorted OLa4Cu2 octahedra that share  a cornercorner with one O(1)La4Cu2 octahedra,  a cornercorner with one O(8)La4Cu square pyramid, corners with four equivalent O(5)La5 trigonal bipyramids, edges with two equivalent O(3)La4Cu square pyramids,  a faceface with one O(10)La4Cu2 octahedra,  a faceface with one O(9)La4Cu2 octahedra, and faces with two equivalent O(4)La4Cu square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to one La(1), one La(2), one La(4), one La(5), one La(7), and one Cu(1) atom. In the third O site, O(3) is bonded to one La(1), one La(2), one La(4), one La(7), and one Cu(3) atom to form distorted OLa4Cu square pyramids that share  a cornercorner with one O(14)La4Cu2 octahedra, edges with two equivalent O(1)La4Cu2 octahedra, edges with two equivalent O(4)La4Cu square pyramids, edges with two equivalent O(5)La5 trigonal bipyramids,  a faceface with one O(10)La4Cu2 octahedra, and  a faceface with one O(9)La4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one La(1), one La(2), one La(4), one La(7), and one Cu(1) atom to form distorted OLa4Cu square pyramids that share  a cornercorner with one O(4)La4Cu square pyramid,  an edgeedge with one O(10)La4Cu2 octahedra,  an edgeedge with one O(9)La4Cu2 octahedra, edges with two equivalent O(3)La4Cu square pyramids, edges with two equivalent O(5)La5 trigonal bipyramids, and faces with two equivalent O(1)La4Cu2 octahedra. In the fifth O site, O(5) is bonded to one La(1), one La(2), one La(4), one La(7), and one La(8) atom to form distorted OLa5 trigonal bipyramids that share  a cornercorner with one O(14)La4Cu2 octahedra, corners with two equivalent O(9)La4Cu2 octahedra, corners with three equivalent O(10)La4Cu2 octahedra, corners with four equivalent O(1)La4Cu2 octahedra,  a cornercorner with one O(15)La4Cu square pyramid,  a cornercorner with one O(8)La4Cu square pyramid, edges with two equivalent O(3)La4Cu square pyramids, and edges with two equivalent O(4)La4Cu square pyramids. The corner-sharing octahedral tilt angles range from 46-52°. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one La(1), one La(2), one La(6), two equivalent La(3), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one La(5), one La(7), one La(8), two equivalent La(4), and one Cu(2) atom. In the eighth O site, O(8) is bonded to one La(3), one La(5), one La(6), one La(8), and one Cu(2) atom to form distorted OLa4Cu square pyramids that share  a cornercorner with one O(1)La4Cu2 octahedra,  a cornercorner with one O(5)La5 trigonal bipyramid, edges with two equivalent O(14)La4Cu2 octahedra, edges with two equivalent O(15)La4Cu square pyramids,  a faceface with one O(10)La4Cu2 octahedra, and  a faceface with one O(9)La4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the ninth O site, O(9) is bonded to one La(2), one La(4), one La(5), one La(6), one Cu(2), and one Cu(3) atom to form distorted OLa4Cu2 octahedra that share corners with two equivalent O(10)La4Cu2 octahedra, corners with two equivalent O(5)La5 trigonal bipyramids,  an edgeedge with one O(15)La4Cu square pyramid,  an edgeedge with one O(4)La4Cu square pyramid,  a faceface with one O(1)La4Cu2 octahedra,  a faceface with one O(14)La4Cu2 octahedra,  a faceface with one O(3)La4Cu square pyramid, and  a faceface with one O(8)La4Cu square pyramid. The corner-sharing octahedra are not tilted. In the tenth O site, O(10) is bonded to one La(1), one La(3), one La(7), one La(8), one Cu(2), and one Cu(3) atom to form distorted OLa4Cu2 octahedra that share corners with two equivalent O(9)La4Cu2 octahedra, corners with three equivalent O(5)La5 trigonal bipyramids,  an edgeedge with one O(15)La4Cu square pyramid,  an edgeedge with one O(4)La4Cu square pyramid,  a faceface with one O(1)La4Cu2 octahedra,  a faceface with one O(14)La4Cu2 octahedra,  a faceface with one O(3)La4Cu square pyramid, and  a faceface with one O(8)La4Cu square pyramid. The corner-sharing octahedra are not tilted. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one La(1), one La(2), one La(3), two equivalent La(6), and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one La(4), one La(5), one La(8), two equivalent La(7), and one Cu(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(5), one La(6), and one La(8) atom. In the fourteenth O site, O(14) is bonded to one La(3), one La(5), one La(6), one La(8), one Cu(3), and one Cu(4) atom to form distorted OLa4Cu2 octahedra that share  a cornercorner with one O(14)La4Cu2 octahedra,  a cornercorner with one O(3)La4Cu square pyramid,  a cornercorner with one O(5)La5 trigonal bipyramid, edges with two equivalent O(8)La4Cu square pyramids,  a faceface with one O(10)La4Cu2 octahedra,  a faceface with one O(9)La4Cu2 octahedra, and faces with two equivalent O(15)La4Cu square pyramids. The corner-sharing octahedra are not tilted. In the fifteenth O site, O(15) is bonded to one La(3), one La(5), one La(6), one La(8), and one Cu(4) atom to form distorted OLa4Cu square pyramids that share  a cornercorner with one O(15)La4Cu square pyramid,  a cornercorner with one O(5)La5 trigonal bipyramid,  an edgeedge with one O(10)La4Cu2 octahedra,  an edgeedge with one O(9)La4Cu2 octahedra, edges with two equivalent O(8)La4Cu square pyramids, and faces with two equivalent O(14)La4Cu2 octahedra. In the sixteenth O site, O(16) is bonded in a 6-coordinate geometry to one La(2), one La(3), one La(5), one La(6), one La(8), and one Cu(4) atom. is represented by the CIF file [CIF]
data_La8Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.536
_cell_length_b   8.860
_cell_length_c   11.616
_cell_angle_alpha   93.663
_cell_angle_beta   99.166
_cell_angle_gamma   102.405
_symmetry_Int_Tables_number   1
_cell_volume   743.955
_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
  La  La0  1  0.813  0.047  0.725  1.0
  La  La1  1  0.675  0.948  0.277  1.0
  La  La2  1  0.325  0.052  0.723  1.0
  La  La3  1  0.825  0.797  0.982  1.0
  La  La4  1  0.809  0.296  0.481  1.0
  La  La5  1  0.829  0.549  0.226  1.0
  La  La6  1  0.313  0.794  0.983  1.0
  La  La7  1  0.330  0.294  0.484  1.0
  La  La8  1  0.187  0.953  0.275  1.0
  La  La9  1  0.670  0.706  0.516  1.0
  La  La10  1  0.687  0.206  0.017  1.0
  La  La11  1  0.692  0.451  0.778  1.0
  La  La12  1  0.191  0.704  0.519  1.0
  La  La13  1  0.175  0.203  0.018  1.0
  La  La14  1  0.308  0.549  0.222  1.0
  La  La15  1  0.171  0.451  0.774  1.0
  Cu  Cu16  1  0.000  0.000  0.500  1.0
  Cu  Cu17  1  1.000  0.249  0.250  1.0
  Cu  Cu18  1  0.500  0.250  0.250  1.0
  Cu  Cu19  1  0.000  0.751  0.750  1.0
  Cu  Cu20  1  0.500  0.500  0.000  1.0
  Cu  Cu21  1  0.500  0.750  0.750  1.0
  O  O22  1  0.999  0.870  0.622  1.0
  O  O23  1  0.899  0.775  0.357  1.0
  O  O24  1  0.501  0.875  0.629  1.0
  O  O25  1  0.759  0.003  0.502  1.0
  O  O26  1  0.415  0.763  0.364  1.0
  O  O27  1  0.918  0.018  0.117  1.0
  O  O28  1  0.918  0.516  0.619  1.0
  O  O29  1  0.585  0.237  0.636  1.0
  O  O30  1  0.998  0.368  0.125  1.0
  O  O31  1  0.499  0.125  0.371  1.0
  O  O32  1  0.241  0.997  0.498  1.0
  O  O33  1  0.748  0.246  0.248  1.0
  O  O34  1  0.749  0.746  0.748  1.0
  O  O35  1  0.101  0.225  0.643  1.0
  O  O36  1  0.601  0.974  0.890  1.0
  O  O37  1  0.600  0.473  0.392  1.0
  O  O38  1  0.898  0.271  0.856  1.0
  O  O39  1  0.400  0.527  0.608  1.0
  O  O40  1  0.399  0.026  0.110  1.0
  O  O41  1  0.502  0.379  0.127  1.0
  O  O42  1  0.251  0.254  0.252  1.0
  O  O43  1  0.744  0.504  0.002  1.0
  O  O44  1  0.252  0.754  0.752  1.0
  O  O45  1  0.001  0.130  0.378  1.0
  O  O46  1  0.418  0.266  0.866  1.0
  O  O47  1  0.082  0.982  0.883  1.0
  O  O48  1  0.082  0.484  0.381  1.0
  O  O49  1  0.582  0.734  0.134  1.0
  O  O50  1  0.256  0.496  0.998  1.0
  O  O51  1  0.498  0.621  0.873  1.0
  O  O52  1  0.102  0.729  0.144  1.0
  O  O53  1  0.002  0.632  0.875  1.0
[/CIF]
.
The crystal structure described by La8Cu3O16 crystallizes in the triclinic P-1 space group. There are eight inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(16), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(15), one O(16), one O(8), and two equivalent O(6) atoms. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(2), one O(3), one O(4), one O(5), one O(9), and two equivalent O(7) atoms. In the fifth La site, La(5) is bonded in a 9-coordinate geometry to one O(12), one O(13), one O(14), one O(15), one O(16), one O(2), one O(7), one O(8), and one O(9) atom. In the sixth La site, La(6) is bonded in a 9-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(6), one O(8), one O(9), and two equivalent O(11) atoms. In the seventh La site, La(7) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(5), one O(7), and two equivalent O(12) atoms. In the eighth La site, La(8) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(15), one O(16), one O(5), one O(7), and one O(8) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Cu site, Cu(2) is bonded to one O(1), one O(10), one O(6), one O(7), one O(8), and one O(9) atom to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the third Cu site, Cu(3) is bonded to one O(10), one O(11), one O(12), one O(14), one O(3), and one O(9) atom to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 2-3°. In the fourth Cu site, Cu(4) is bonded to two equivalent O(14), two equivalent O(15), and two equivalent O(16) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one La(2), one La(4), one La(7), one Cu(1), and one Cu(2) atom to form distorted OLa4Cu2 octahedra that share  a cornercorner with one O(1)La4Cu2 octahedra,  a cornercorner with one O(8)La4Cu square pyramid, corners with four equivalent O(5)La5 trigonal bipyramids, edges with two equivalent O(3)La4Cu square pyramids,  a faceface with one O(10)La4Cu2 octahedra,  a faceface with one O(9)La4Cu2 octahedra, and faces with two equivalent O(4)La4Cu square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to one La(1), one La(2), one La(4), one La(5), one La(7), and one Cu(1) atom. In the third O site, O(3) is bonded to one La(1), one La(2), one La(4), one La(7), and one Cu(3) atom to form distorted OLa4Cu square pyramids that share  a cornercorner with one O(14)La4Cu2 octahedra, edges with two equivalent O(1)La4Cu2 octahedra, edges with two equivalent O(4)La4Cu square pyramids, edges with two equivalent O(5)La5 trigonal bipyramids,  a faceface with one O(10)La4Cu2 octahedra, and  a faceface with one O(9)La4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one La(1), one La(2), one La(4), one La(7), and one Cu(1) atom to form distorted OLa4Cu square pyramids that share  a cornercorner with one O(4)La4Cu square pyramid,  an edgeedge with one O(10)La4Cu2 octahedra,  an edgeedge with one O(9)La4Cu2 octahedra, edges with two equivalent O(3)La4Cu square pyramids, edges with two equivalent O(5)La5 trigonal bipyramids, and faces with two equivalent O(1)La4Cu2 octahedra. In the fifth O site, O(5) is bonded to one La(1), one La(2), one La(4), one La(7), and one La(8) atom to form distorted OLa5 trigonal bipyramids that share  a cornercorner with one O(14)La4Cu2 octahedra, corners with two equivalent O(9)La4Cu2 octahedra, corners with three equivalent O(10)La4Cu2 octahedra, corners with four equivalent O(1)La4Cu2 octahedra,  a cornercorner with one O(15)La4Cu square pyramid,  a cornercorner with one O(8)La4Cu square pyramid, edges with two equivalent O(3)La4Cu square pyramids, and edges with two equivalent O(4)La4Cu square pyramids. The corner-sharing octahedral tilt angles range from 46-52°. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one La(1), one La(2), one La(6), two equivalent La(3), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one La(5), one La(7), one La(8), two equivalent La(4), and one Cu(2) atom. In the eighth O site, O(8) is bonded to one La(3), one La(5), one La(6), one La(8), and one Cu(2) atom to form distorted OLa4Cu square pyramids that share  a cornercorner with one O(1)La4Cu2 octahedra,  a cornercorner with one O(5)La5 trigonal bipyramid, edges with two equivalent O(14)La4Cu2 octahedra, edges with two equivalent O(15)La4Cu square pyramids,  a faceface with one O(10)La4Cu2 octahedra, and  a faceface with one O(9)La4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the ninth O site, O(9) is bonded to one La(2), one La(4), one La(5), one La(6), one Cu(2), and one Cu(3) atom to form distorted OLa4Cu2 octahedra that share corners with two equivalent O(10)La4Cu2 octahedra, corners with two equivalent O(5)La5 trigonal bipyramids,  an edgeedge with one O(15)La4Cu square pyramid,  an edgeedge with one O(4)La4Cu square pyramid,  a faceface with one O(1)La4Cu2 octahedra,  a faceface with one O(14)La4Cu2 octahedra,  a faceface with one O(3)La4Cu square pyramid, and  a faceface with one O(8)La4Cu square pyramid. The corner-sharing octahedra are not tilted. In the tenth O site, O(10) is bonded to one La(1), one La(3), one La(7), one La(8), one Cu(2), and one Cu(3) atom to form distorted OLa4Cu2 octahedra that share corners with two equivalent O(9)La4Cu2 octahedra, corners with three equivalent O(5)La5 trigonal bipyramids,  an edgeedge with one O(15)La4Cu square pyramid,  an edgeedge with one O(4)La4Cu square pyramid,  a faceface with one O(1)La4Cu2 octahedra,  a faceface with one O(14)La4Cu2 octahedra,  a faceface with one O(3)La4Cu square pyramid, and  a faceface with one O(8)La4Cu square pyramid. The corner-sharing octahedra are not tilted. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one La(1), one La(2), one La(3), two equivalent La(6), and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one La(4), one La(5), one La(8), two equivalent La(7), and one Cu(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(5), one La(6), and one La(8) atom. In the fourteenth O site, O(14) is bonded to one La(3), one La(5), one La(6), one La(8), one Cu(3), and one Cu(4) atom to form distorted OLa4Cu2 octahedra that share  a cornercorner with one O(14)La4Cu2 octahedra,  a cornercorner with one O(3)La4Cu square pyramid,  a cornercorner with one O(5)La5 trigonal bipyramid, edges with two equivalent O(8)La4Cu square pyramids,  a faceface with one O(10)La4Cu2 octahedra,  a faceface with one O(9)La4Cu2 octahedra, and faces with two equivalent O(15)La4Cu square pyramids. The corner-sharing octahedra are not tilted. In the fifteenth O site, O(15) is bonded to one La(3), one La(5), one La(6), one La(8), and one Cu(4) atom to form distorted OLa4Cu square pyramids that share  a cornercorner with one O(15)La4Cu square pyramid,  a cornercorner with one O(5)La5 trigonal bipyramid,  an edgeedge with one O(10)La4Cu2 octahedra,  an edgeedge with one O(9)La4Cu2 octahedra, edges with two equivalent O(8)La4Cu square pyramids, and faces with two equivalent O(14)La4Cu2 octahedra. In the sixteenth O site, O(16) is bonded in a 6-coordinate geometry to one La(2), one La(3), one La(5), one La(6), one La(8), and one Cu(4) atom. is represented by the CIF file [CIF]
data_La8Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.536
_cell_length_b   8.860
_cell_length_c   11.616
_cell_angle_alpha   93.663
_cell_angle_beta   99.166
_cell_angle_gamma   102.405
_symmetry_Int_Tables_number   1
_cell_volume   743.955
_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
  La  La0  1  0.813  0.047  0.725  1.0
  La  La1  1  0.675  0.948  0.277  1.0
  La  La2  1  0.325  0.052  0.723  1.0
  La  La3  1  0.825  0.797  0.982  1.0
  La  La4  1  0.809  0.296  0.481  1.0
  La  La5  1  0.829  0.549  0.226  1.0
  La  La6  1  0.313  0.794  0.983  1.0
  La  La7  1  0.330  0.294  0.484  1.0
  La  La8  1  0.187  0.953  0.275  1.0
  La  La9  1  0.670  0.706  0.516  1.0
  La  La10  1  0.687  0.206  0.017  1.0
  La  La11  1  0.692  0.451  0.778  1.0
  La  La12  1  0.191  0.704  0.519  1.0
  La  La13  1  0.175  0.203  0.018  1.0
  La  La14  1  0.308  0.549  0.222  1.0
  La  La15  1  0.171  0.451  0.774  1.0
  Cu  Cu16  1  0.000  0.000  0.500  1.0
  Cu  Cu17  1  1.000  0.249  0.250  1.0
  Cu  Cu18  1  0.500  0.250  0.250  1.0
  Cu  Cu19  1  0.000  0.751  0.750  1.0
  Cu  Cu20  1  0.500  0.500  0.000  1.0
  Cu  Cu21  1  0.500  0.750  0.750  1.0
  O  O22  1  0.999  0.870  0.622  1.0
  O  O23  1  0.899  0.775  0.357  1.0
  O  O24  1  0.501  0.875  0.629  1.0
  O  O25  1  0.759  0.003  0.502  1.0
  O  O26  1  0.415  0.763  0.364  1.0
  O  O27  1  0.918  0.018  0.117  1.0
  O  O28  1  0.918  0.516  0.619  1.0
  O  O29  1  0.585  0.237  0.636  1.0
  O  O30  1  0.998  0.368  0.125  1.0
  O  O31  1  0.499  0.125  0.371  1.0
  O  O32  1  0.241  0.997  0.498  1.0
  O  O33  1  0.748  0.246  0.248  1.0
  O  O34  1  0.749  0.746  0.748  1.0
  O  O35  1  0.101  0.225  0.643  1.0
  O  O36  1  0.601  0.974  0.890  1.0
  O  O37  1  0.600  0.473  0.392  1.0
  O  O38  1  0.898  0.271  0.856  1.0
  O  O39  1  0.400  0.527  0.608  1.0
  O  O40  1  0.399  0.026  0.110  1.0
  O  O41  1  0.502  0.379  0.127  1.0
  O  O42  1  0.251  0.254  0.252  1.0
  O  O43  1  0.744  0.504  0.002  1.0
  O  O44  1  0.252  0.754  0.752  1.0
  O  O45  1  0.001  0.130  0.378  1.0
  O  O46  1  0.418  0.266  0.866  1.0
  O  O47  1  0.082  0.982  0.883  1.0
  O  O48  1  0.082  0.484  0.381  1.0
  O  O49  1  0.582  0.734  0.134  1.0
  O  O50  1  0.256  0.496  0.998  1.0
  O  O51  1  0.498  0.621  0.873  1.0
  O  O52  1  0.102  0.729  0.144  1.0
  O  O53  1  0.002  0.632  0.875  1.0
[/CIF]
.