The material described by Ba3Pr3La3Cu9O22 crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(10), one O(12), one O(19), one O(2), one O(20), one O(22), one O(3), one O(7), one O(9), and two equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(20), one O(21), one O(8), one O(9), and two equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(13), one O(14), one O(16), one O(17), one O(20), one O(21), one O(4), one O(6), and two equivalent O(5) atoms. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a body-centered cubic geometry to one O(10), one O(11), one O(13), one O(14), one O(16), one O(17), one O(7), and one O(8) atom. In the second Pr site, Pr(2) is bonded in a body-centered cubic geometry to one O(11), one O(12), one O(14), one O(15), one O(17), one O(18), one O(8), and one O(9) atom. In the third Pr site, Pr(3) is bonded in a body-centered cubic geometry to one O(10), one O(12), one O(13), one O(15), one O(16), one O(18), one O(7), and one O(9) atom. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(11), one O(19), one O(21), one O(3), one O(7), one O(8), and two equivalent O(2) atoms. In the second La site, La(2) is bonded in a 11-coordinate geometry to one O(13), one O(15), one O(16), one O(18), one O(19), one O(21), one O(22), one O(5), one O(6), and two equivalent O(4) atoms. In the third La site, La(3) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(18), one O(20), one O(22), one O(5), and one O(6) atom. There are nine inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(10), one O(12), one O(7), and one O(9) atom to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(10), one O(11), one O(2), one O(7), and one O(8) atom to form corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded to one O(11), one O(12), one O(3), one O(8), and one O(9) atom to form corner-sharing CuO5 trigonal bipyramids. In the fourth Cu site, Cu(4) is bonded to one O(13), one O(15), one O(16), one O(18), and one O(4) atom to form corner-sharing CuO5 square pyramids. In the fifth Cu site, Cu(5) is bonded to one O(13), one O(14), one O(16), one O(17), and one O(5) atom to form corner-sharing CuO5 trigonal bipyramids. In the sixth Cu site, Cu(6) is bonded to one O(14), one O(15), one O(17), one O(18), and one O(6) atom to form corner-sharing CuO5 square pyramids. In the seventh Cu site, Cu(7) is bonded to one O(19), one O(2), one O(21), one O(22), and one O(4) atom to form corner-sharing CuO5 trigonal bipyramids. In the eighth Cu site, Cu(8) is bonded in a rectangular see-saw-like geometry to one O(20), one O(21), one O(3), and one O(5) atom. In the ninth Cu site, Cu(9) is bonded to one O(1), one O(19), one O(20), one O(22), and one O(6) atom to form corner-sharing CuO5 square pyramids. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), two equivalent Ba(1), one La(1), one Cu(1), and one Cu(9) atom to form distorted OBa3LaCu2 octahedra that share  a cornercorner with one O(2)Ba2La2Cu2 octahedra,  a cornercorner with one O(12)Ba2Pr2Cu2 octahedra,  a cornercorner with one O(20)Ba3LaCu2 octahedra, corners with two equivalent O(1)Ba3LaCu2 octahedra, edges with two equivalent O(2)Ba2La2Cu2 octahedra,  a faceface with one O(12)Ba2Pr2Cu2 octahedra, and  a faceface with one O(20)Ba3LaCu2 octahedra. The corner-sharing octahedral tilt angles range from 6-66°. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), two equivalent La(1), one Cu(2), and one Cu(7) atom to form distorted OBa2La2Cu2 octahedra that share  a cornercorner with one O(1)Ba3LaCu2 octahedra, corners with two equivalent O(2)Ba2La2Cu2 octahedra, corners with two equivalent O(12)Ba2Pr2Cu2 octahedra, corners with two equivalent O(20)Ba3LaCu2 octahedra, and edges with two equivalent O(1)Ba3LaCu2 octahedra. The corner-sharing octahedral tilt angles range from 7-71°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one La(1), one Cu(3), and one Cu(8) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent La(2), one Cu(4), and one Cu(7) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(3), one La(2), one La(3), one Cu(5), and one Cu(8) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(3), one La(2), one La(3), one Cu(6), and one Cu(9) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), one Pr(1), one Pr(3), one La(1), one Cu(1), and one Cu(2) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(2), one Pr(1), one Pr(2), one La(1), one Cu(2), and one Cu(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Pr(2), one Pr(3), one Cu(1), and one Cu(3) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Ba(1), one Pr(1), one Pr(3), one La(1), one Cu(1), and one Cu(2) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Ba(2), one Pr(1), one Pr(2), one La(1), one Cu(2), and one Cu(3) atom. In the twelfth O site, O(12) is bonded to one Ba(1), one Ba(2), one Pr(2), one Pr(3), one Cu(1), and one Cu(3) atom to form distorted OBa2Pr2Cu2 octahedra that share  a cornercorner with one O(1)Ba3LaCu2 octahedra,  a cornercorner with one O(16)BaLaPr2Cu2 octahedra,  a cornercorner with one O(17)BaLaPr2Cu2 octahedra, corners with two equivalent O(2)Ba2La2Cu2 octahedra, corners with two equivalent O(15)La2Pr2Cu2 octahedra,  an edgeedge with one O(20)Ba3LaCu2 octahedra, and  a faceface with one O(1)Ba3LaCu2 octahedra. The corner-sharing octahedral tilt angles range from 3-66°. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ba(3), one Pr(1), one Pr(3), one La(2), one Cu(4), and one Cu(5) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ba(3), one Pr(1), one Pr(2), one Cu(5), and one Cu(6) atom. In the fifteenth O site, O(15) is bonded to one Pr(2), one Pr(3), one La(2), one La(3), one Cu(4), and one Cu(6) atom to form distorted OLa2Pr2Cu2 octahedra that share  a cornercorner with one O(20)Ba3LaCu2 octahedra, corners with two equivalent O(12)Ba2Pr2Cu2 octahedra,  a faceface with one O(16)BaLaPr2Cu2 octahedra, and  a faceface with one O(17)BaLaPr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. In the sixteenth O site, O(16) is bonded to one Ba(3), one Pr(1), one Pr(3), one La(2), one Cu(4), and one Cu(5) atom to form distorted OBaLaPr2Cu2 octahedra that share  a cornercorner with one O(12)Ba2Pr2Cu2 octahedra,  a cornercorner with one O(20)Ba3LaCu2 octahedra,  a cornercorner with one O(17)BaLaPr2Cu2 octahedra,  an edgeedge with one O(17)BaLaPr2Cu2 octahedra, and  a faceface with one O(15)La2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the seventeenth O site, O(17) is bonded to one Ba(3), one Pr(1), one Pr(2), one La(3), one Cu(5), and one Cu(6) atom to form distorted OBaLaPr2Cu2 octahedra that share  a cornercorner with one O(12)Ba2Pr2Cu2 octahedra,  a cornercorner with one O(16)BaLaPr2Cu2 octahedra,  an edgeedge with one O(20)Ba3LaCu2 octahedra,  an edgeedge with one O(16)BaLaPr2Cu2 octahedra, and  a faceface with one O(15)La2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the eighteenth O site, O(18) is bonded in a 6-coordinate geometry to one Pr(2), one Pr(3), one La(2), one La(3), one Cu(4), and one Cu(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ba(1), one La(1), one La(2), one Cu(7), and one Cu(9) atom. In the twentieth O site, O(20) is bonded to one Ba(1), one Ba(2), one Ba(3), one La(3), one Cu(8), and one Cu(9) atom to form distorted OBa3LaCu2 octahedra that share  a cornercorner with one O(1)Ba3LaCu2 octahedra,  a cornercorner with one O(16)BaLaPr2Cu2 octahedra,  a cornercorner with one O(15)La2Pr2Cu2 octahedra, corners with two equivalent O(2)Ba2La2Cu2 octahedra,  an edgeedge with one O(12)Ba2Pr2Cu2 octahedra,  an edgeedge with one O(17)BaLaPr2Cu2 octahedra, and  a faceface with one O(1)Ba3LaCu2 octahedra. The corner-sharing octahedral tilt angles range from 3-71°. In the twenty-first O site, O(21) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one La(1), one La(2), one Cu(7), and one Cu(8) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ba(1), one La(2), one La(3), one Cu(7), and one Cu(9) atom. is represented by the CIF file [CIF]
data_Ba3La3Pr3Cu9O22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.550
_cell_length_b   8.715
_cell_length_c   12.175
_cell_angle_alpha   74.168
_cell_angle_beta   77.217
_cell_angle_gamma   72.800
_symmetry_Int_Tables_number   1
_cell_volume   534.864
_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
  Ba  Ba0  1  0.456  0.933  0.174  1.0
  Ba  Ba1  1  0.775  0.268  0.182  1.0
  Ba  Ba2  1  0.895  0.396  0.820  1.0
  La  La3  1  0.113  0.605  0.174  1.0
  La  La4  1  0.202  0.748  0.830  1.0
  La  La5  1  0.571  0.072  0.821  1.0
  Pr  Pr6  1  0.002  0.500  0.500  1.0
  Pr  Pr7  1  0.664  0.167  0.502  1.0
  Pr  Pr8  1  0.340  0.830  0.500  1.0
  Cu  Cu9  1  0.887  0.882  0.348  1.0
  Cu  Cu10  1  0.553  0.547  0.349  1.0
  Cu  Cu11  1  0.219  0.214  0.353  1.0
  Cu  Cu12  1  0.779  0.782  0.656  1.0
  Cu  Cu13  1  0.447  0.453  0.653  1.0
  Cu  Cu14  1  0.120  0.118  0.652  1.0
  Cu  Cu15  1  0.657  0.666  0.997  1.0
  Cu  Cu16  1  0.336  0.346  0.996  1.0
  Cu  Cu17  1  0.006  0.988  0.002  1.0
  O  O18  1  0.953  0.927  0.163  1.0
  O  O19  1  0.603  0.600  0.161  1.0
  O  O20  1  0.275  0.320  0.157  1.0
  O  O21  1  0.652  0.713  0.836  1.0
  O  O22  1  0.389  0.368  0.837  1.0
  O  O23  1  0.137  0.057  0.844  1.0
  O  O24  1  0.713  0.710  0.363  1.0
  O  O25  1  0.383  0.372  0.371  1.0
  O  O26  1  0.044  0.041  0.378  1.0
  O  O27  1  0.211  0.704  0.366  1.0
  O  O28  1  0.883  0.380  0.367  1.0
  O  O29  1  0.547  0.042  0.366  1.0
  O  O30  1  0.629  0.623  0.625  1.0
  O  O31  1  0.288  0.295  0.629  1.0
  O  O32  1  0.945  0.949  0.663  1.0
  O  O33  1  0.122  0.630  0.639  1.0
  O  O34  1  0.786  0.278  0.643  1.0
  O  O35  1  0.454  0.957  0.635  1.0
  O  O36  1  0.305  0.783  0.010  1.0
  O  O37  1  0.646  0.178  0.995  1.0
  O  O38  1  0.035  0.530  0.988  1.0
  O  O39  1  0.810  0.865  0.957  1.0
[/CIF]
.
The material described by Ba3Pr3La3Cu9O22 crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(10), one O(12), one O(19), one O(2), one O(20), one O(22), one O(3), one O(7), one O(9), and two equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(20), one O(21), one O(8), one O(9), and two equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(13), one O(14), one O(16), one O(17), one O(20), one O(21), one O(4), one O(6), and two equivalent O(5) atoms. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a body-centered cubic geometry to one O(10), one O(11), one O(13), one O(14), one O(16), one O(17), one O(7), and one O(8) atom. In the second Pr site, Pr(2) is bonded in a body-centered cubic geometry to one O(11), one O(12), one O(14), one O(15), one O(17), one O(18), one O(8), and one O(9) atom. In the third Pr site, Pr(3) is bonded in a body-centered cubic geometry to one O(10), one O(12), one O(13), one O(15), one O(16), one O(18), one O(7), and one O(9) atom. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(11), one O(19), one O(21), one O(3), one O(7), one O(8), and two equivalent O(2) atoms. In the second La site, La(2) is bonded in a 11-coordinate geometry to one O(13), one O(15), one O(16), one O(18), one O(19), one O(21), one O(22), one O(5), one O(6), and two equivalent O(4) atoms. In the third La site, La(3) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(18), one O(20), one O(22), one O(5), and one O(6) atom. There are nine inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(10), one O(12), one O(7), and one O(9) atom to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(10), one O(11), one O(2), one O(7), and one O(8) atom to form corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded to one O(11), one O(12), one O(3), one O(8), and one O(9) atom to form corner-sharing CuO5 trigonal bipyramids. In the fourth Cu site, Cu(4) is bonded to one O(13), one O(15), one O(16), one O(18), and one O(4) atom to form corner-sharing CuO5 square pyramids. In the fifth Cu site, Cu(5) is bonded to one O(13), one O(14), one O(16), one O(17), and one O(5) atom to form corner-sharing CuO5 trigonal bipyramids. In the sixth Cu site, Cu(6) is bonded to one O(14), one O(15), one O(17), one O(18), and one O(6) atom to form corner-sharing CuO5 square pyramids. In the seventh Cu site, Cu(7) is bonded to one O(19), one O(2), one O(21), one O(22), and one O(4) atom to form corner-sharing CuO5 trigonal bipyramids. In the eighth Cu site, Cu(8) is bonded in a rectangular see-saw-like geometry to one O(20), one O(21), one O(3), and one O(5) atom. In the ninth Cu site, Cu(9) is bonded to one O(1), one O(19), one O(20), one O(22), and one O(6) atom to form corner-sharing CuO5 square pyramids. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), two equivalent Ba(1), one La(1), one Cu(1), and one Cu(9) atom to form distorted OBa3LaCu2 octahedra that share  a cornercorner with one O(2)Ba2La2Cu2 octahedra,  a cornercorner with one O(12)Ba2Pr2Cu2 octahedra,  a cornercorner with one O(20)Ba3LaCu2 octahedra, corners with two equivalent O(1)Ba3LaCu2 octahedra, edges with two equivalent O(2)Ba2La2Cu2 octahedra,  a faceface with one O(12)Ba2Pr2Cu2 octahedra, and  a faceface with one O(20)Ba3LaCu2 octahedra. The corner-sharing octahedral tilt angles range from 6-66°. In the second O site, O(2) is bonded to one Ba(1), one Ba(2), two equivalent La(1), one Cu(2), and one Cu(7) atom to form distorted OBa2La2Cu2 octahedra that share  a cornercorner with one O(1)Ba3LaCu2 octahedra, corners with two equivalent O(2)Ba2La2Cu2 octahedra, corners with two equivalent O(12)Ba2Pr2Cu2 octahedra, corners with two equivalent O(20)Ba3LaCu2 octahedra, and edges with two equivalent O(1)Ba3LaCu2 octahedra. The corner-sharing octahedral tilt angles range from 7-71°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one La(1), one Cu(3), and one Cu(8) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent La(2), one Cu(4), and one Cu(7) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(3), one La(2), one La(3), one Cu(5), and one Cu(8) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(3), one La(2), one La(3), one Cu(6), and one Cu(9) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), one Pr(1), one Pr(3), one La(1), one Cu(1), and one Cu(2) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(2), one Pr(1), one Pr(2), one La(1), one Cu(2), and one Cu(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Pr(2), one Pr(3), one Cu(1), and one Cu(3) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Ba(1), one Pr(1), one Pr(3), one La(1), one Cu(1), and one Cu(2) atom. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Ba(2), one Pr(1), one Pr(2), one La(1), one Cu(2), and one Cu(3) atom. In the twelfth O site, O(12) is bonded to one Ba(1), one Ba(2), one Pr(2), one Pr(3), one Cu(1), and one Cu(3) atom to form distorted OBa2Pr2Cu2 octahedra that share  a cornercorner with one O(1)Ba3LaCu2 octahedra,  a cornercorner with one O(16)BaLaPr2Cu2 octahedra,  a cornercorner with one O(17)BaLaPr2Cu2 octahedra, corners with two equivalent O(2)Ba2La2Cu2 octahedra, corners with two equivalent O(15)La2Pr2Cu2 octahedra,  an edgeedge with one O(20)Ba3LaCu2 octahedra, and  a faceface with one O(1)Ba3LaCu2 octahedra. The corner-sharing octahedral tilt angles range from 3-66°. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ba(3), one Pr(1), one Pr(3), one La(2), one Cu(4), and one Cu(5) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ba(3), one Pr(1), one Pr(2), one Cu(5), and one Cu(6) atom. In the fifteenth O site, O(15) is bonded to one Pr(2), one Pr(3), one La(2), one La(3), one Cu(4), and one Cu(6) atom to form distorted OLa2Pr2Cu2 octahedra that share  a cornercorner with one O(20)Ba3LaCu2 octahedra, corners with two equivalent O(12)Ba2Pr2Cu2 octahedra,  a faceface with one O(16)BaLaPr2Cu2 octahedra, and  a faceface with one O(17)BaLaPr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. In the sixteenth O site, O(16) is bonded to one Ba(3), one Pr(1), one Pr(3), one La(2), one Cu(4), and one Cu(5) atom to form distorted OBaLaPr2Cu2 octahedra that share  a cornercorner with one O(12)Ba2Pr2Cu2 octahedra,  a cornercorner with one O(20)Ba3LaCu2 octahedra,  a cornercorner with one O(17)BaLaPr2Cu2 octahedra,  an edgeedge with one O(17)BaLaPr2Cu2 octahedra, and  a faceface with one O(15)La2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the seventeenth O site, O(17) is bonded to one Ba(3), one Pr(1), one Pr(2), one La(3), one Cu(5), and one Cu(6) atom to form distorted OBaLaPr2Cu2 octahedra that share  a cornercorner with one O(12)Ba2Pr2Cu2 octahedra,  a cornercorner with one O(16)BaLaPr2Cu2 octahedra,  an edgeedge with one O(20)Ba3LaCu2 octahedra,  an edgeedge with one O(16)BaLaPr2Cu2 octahedra, and  a faceface with one O(15)La2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the eighteenth O site, O(18) is bonded in a 6-coordinate geometry to one Pr(2), one Pr(3), one La(2), one La(3), one Cu(4), and one Cu(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ba(1), one La(1), one La(2), one Cu(7), and one Cu(9) atom. In the twentieth O site, O(20) is bonded to one Ba(1), one Ba(2), one Ba(3), one La(3), one Cu(8), and one Cu(9) atom to form distorted OBa3LaCu2 octahedra that share  a cornercorner with one O(1)Ba3LaCu2 octahedra,  a cornercorner with one O(16)BaLaPr2Cu2 octahedra,  a cornercorner with one O(15)La2Pr2Cu2 octahedra, corners with two equivalent O(2)Ba2La2Cu2 octahedra,  an edgeedge with one O(12)Ba2Pr2Cu2 octahedra,  an edgeedge with one O(17)BaLaPr2Cu2 octahedra, and  a faceface with one O(1)Ba3LaCu2 octahedra. The corner-sharing octahedral tilt angles range from 3-71°. In the twenty-first O site, O(21) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), one La(1), one La(2), one Cu(7), and one Cu(8) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ba(1), one La(2), one La(3), one Cu(7), and one Cu(9) atom. is represented by the CIF file [CIF]
data_Ba3La3Pr3Cu9O22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.550
_cell_length_b   8.715
_cell_length_c   12.175
_cell_angle_alpha   74.168
_cell_angle_beta   77.217
_cell_angle_gamma   72.800
_symmetry_Int_Tables_number   1
_cell_volume   534.864
_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
  Ba  Ba0  1  0.456  0.933  0.174  1.0
  Ba  Ba1  1  0.775  0.268  0.182  1.0
  Ba  Ba2  1  0.895  0.396  0.820  1.0
  La  La3  1  0.113  0.605  0.174  1.0
  La  La4  1  0.202  0.748  0.830  1.0
  La  La5  1  0.571  0.072  0.821  1.0
  Pr  Pr6  1  0.002  0.500  0.500  1.0
  Pr  Pr7  1  0.664  0.167  0.502  1.0
  Pr  Pr8  1  0.340  0.830  0.500  1.0
  Cu  Cu9  1  0.887  0.882  0.348  1.0
  Cu  Cu10  1  0.553  0.547  0.349  1.0
  Cu  Cu11  1  0.219  0.214  0.353  1.0
  Cu  Cu12  1  0.779  0.782  0.656  1.0
  Cu  Cu13  1  0.447  0.453  0.653  1.0
  Cu  Cu14  1  0.120  0.118  0.652  1.0
  Cu  Cu15  1  0.657  0.666  0.997  1.0
  Cu  Cu16  1  0.336  0.346  0.996  1.0
  Cu  Cu17  1  0.006  0.988  0.002  1.0
  O  O18  1  0.953  0.927  0.163  1.0
  O  O19  1  0.603  0.600  0.161  1.0
  O  O20  1  0.275  0.320  0.157  1.0
  O  O21  1  0.652  0.713  0.836  1.0
  O  O22  1  0.389  0.368  0.837  1.0
  O  O23  1  0.137  0.057  0.844  1.0
  O  O24  1  0.713  0.710  0.363  1.0
  O  O25  1  0.383  0.372  0.371  1.0
  O  O26  1  0.044  0.041  0.378  1.0
  O  O27  1  0.211  0.704  0.366  1.0
  O  O28  1  0.883  0.380  0.367  1.0
  O  O29  1  0.547  0.042  0.366  1.0
  O  O30  1  0.629  0.623  0.625  1.0
  O  O31  1  0.288  0.295  0.629  1.0
  O  O32  1  0.945  0.949  0.663  1.0
  O  O33  1  0.122  0.630  0.639  1.0
  O  O34  1  0.786  0.278  0.643  1.0
  O  O35  1  0.454  0.957  0.635  1.0
  O  O36  1  0.305  0.783  0.010  1.0
  O  O37  1  0.646  0.178  0.995  1.0
  O  O38  1  0.035  0.530  0.988  1.0
  O  O39  1  0.810  0.865  0.957  1.0
[/CIF]
.