The structure described by Ba10Nd4Y(MoO6)5 crystallizes in the triclinic P-1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(15), one O(2), one O(5), one O(6), two equivalent O(1), two equivalent O(13), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded to one O(1), one O(13), one O(14), one O(4), one O(8), one O(9), two equivalent O(10), two equivalent O(15), and two equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Y(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra, faces with three equivalent Nd(1)O6 octahedra, and faces with three equivalent Mo(1)O6 octahedra. In the third Ba site, Ba(3) is bonded to one O(11), one O(5), one O(6), three equivalent O(12), three equivalent O(3), and three equivalent O(7) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Mo(2)O6 octahedra, faces with three equivalent Mo(3)O6 octahedra, and faces with four equivalent Nd(2)O6 octahedra. In the fourth Ba site, Ba(4) is bonded to one O(10), one O(15), one O(2), three equivalent O(14), three equivalent O(4), and three equivalent O(9) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Nd(1)O6 octahedra, faces with three equivalent Y(1)O6 octahedra, and faces with four equivalent Mo(1)O6 octahedra. In the fifth Ba site, Ba(5) is bonded to one O(1), one O(12), one O(13), one O(3), one O(7), one O(8), two equivalent O(11), two equivalent O(5), and two equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Nd(1)O6 octahedra,  a faceface with one Mo(3)O6 octahedra, faces with three equivalent Nd(2)O6 octahedra, and faces with three equivalent Mo(2)O6 octahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one O(1), one O(10), one O(13), one O(15), one O(2), and one O(8) atom to form NdO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-18°. In the second Nd site, Nd(2) is bonded to one O(11), one O(12), one O(3), one O(5), one O(6), and one O(7) atom to form NdO6 octahedra that share corners with three equivalent Mo(2)O6 octahedra, corners with three equivalent Mo(3)O6 octahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and faces with four equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-19°. Y(1) is bonded to two equivalent O(14), two equivalent O(4), and two equivalent O(9) atoms to form YO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with six equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(14), one O(15), one O(2), one O(4), and one O(9) atom to form MoO6 octahedra that share corners with three equivalent Nd(1)O6 octahedra, corners with three equivalent Y(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with four equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the second Mo site, Mo(2) is bonded to one O(1), one O(11), one O(13), one O(5), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Nd(1)O6 octahedra, corners with three equivalent Nd(2)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-19°. In the third Mo site, Mo(3) is bonded to two equivalent O(12), two equivalent O(3), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with six equivalent Nd(2)O6 octahedra, faces with two equivalent Ba(5)O12 cuboctahedra, and faces with six equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-19°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Ba(5), two equivalent Ba(1), one Nd(1), and one Mo(2) atom to form distorted OBa4NdMo octahedra that share  a cornercorner with one O(2)Ba4NdMo octahedra,  a cornercorner with one O(3)Ba4NdMo octahedra,  a cornercorner with one O(5)Ba4NdMo octahedra,  a cornercorner with one O(4)Ba4YMo octahedra, corners with two equivalent O(1)Ba4NdMo octahedra, edges with two equivalent O(2)Ba4NdMo octahedra, and edges with two equivalent O(5)Ba4NdMo octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second O site, O(2) is bonded to one Ba(1), one Ba(4), two equivalent Ba(2), one Nd(1), and one Mo(1) atom to form distorted OBa4NdMo octahedra that share  a cornercorner with one O(1)Ba4NdMo octahedra,  a cornercorner with one O(5)Ba4NdMo octahedra, corners with two equivalent O(2)Ba4NdMo octahedra, corners with two equivalent O(4)Ba4YMo octahedra, edges with two equivalent O(1)Ba4NdMo octahedra, and edges with two equivalent O(4)Ba4YMo octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded to one Ba(5), three equivalent Ba(3), one Nd(2), and one Mo(3) atom to form a mixture of distorted edge and corner-sharing OBa4NdMo octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Ba(2), three equivalent Ba(4), one Y(1), and one Mo(1) atom to form distorted OBa4YMo octahedra that share  a cornercorner with one O(1)Ba4NdMo octahedra, corners with two equivalent O(2)Ba4NdMo octahedra, corners with three equivalent O(4)Ba4YMo octahedra, edges with two equivalent O(2)Ba4NdMo octahedra, and edges with two equivalent O(4)Ba4YMo octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Ba(1), one Ba(3), two equivalent Ba(5), one Nd(2), and one Mo(2) atom to form a mixture of distorted edge and corner-sharing OBa4NdMo octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(5), one Nd(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(5), three equivalent Ba(3), one Nd(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(1), one Nd(1), and one Mo(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(2), three equivalent Ba(4), one Y(1), and one Mo(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(4), two equivalent Ba(2), one Nd(1), and one Mo(1) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(5), one Nd(2), and one Mo(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(5), three equivalent Ba(3), one Nd(2), and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(1), one Nd(1), and one Mo(2) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Ba(2), three equivalent Ba(4), one Y(1), and one Mo(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), two equivalent Ba(2), one Nd(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Ba10Nd4Y(MoO6)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   6.113
_cell_length_c   25.085
_cell_angle_alpha   84.006
_cell_angle_beta   83.122
_cell_angle_gamma   60.311
_symmetry_Int_Tables_number   1
_cell_volume   800.543
_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  0.251  0.248  0.751  1.0
  Ba  Ba1  1  0.451  0.450  0.147  1.0
  Ba  Ba2  1  0.652  0.651  0.550  1.0
  Ba  Ba3  1  0.848  0.851  0.952  1.0
  Ba  Ba4  1  0.048  0.047  0.350  1.0
  Ba  Ba5  1  0.549  0.550  0.853  1.0
  Ba  Ba6  1  0.749  0.752  0.249  1.0
  Ba  Ba7  1  0.952  0.953  0.650  1.0
  Ba  Ba8  1  0.152  0.149  0.048  1.0
  Ba  Ba9  1  0.348  0.349  0.450  1.0
  Nd  Nd10  1  0.902  0.900  0.801  1.0
  Nd  Nd11  1  0.298  0.300  0.600  1.0
  Nd  Nd12  1  0.702  0.700  0.400  1.0
  Nd  Nd13  1  0.098  0.100  0.199  1.0
  Y  Y14  1  0.500  0.500  0.000  1.0
  Mo  Mo15  1  0.198  0.200  0.902  1.0
  Mo  Mo16  1  0.399  0.400  0.299  1.0
  Mo  Mo17  1  0.601  0.600  0.701  1.0
  Mo  Mo18  1  0.802  0.800  0.098  1.0
  Mo  Mo19  1  0.000  0.000  0.500  1.0
  O  O20  1  0.741  0.271  0.747  1.0
  O  O21  1  0.939  0.475  0.145  1.0
  O  O22  1  0.143  0.673  0.547  1.0
  O  O23  1  0.343  0.867  0.949  1.0
  O  O24  1  0.537  0.073  0.347  1.0
  O  O25  1  0.061  0.525  0.855  1.0
  O  O26  1  0.259  0.729  0.253  1.0
  O  O27  1  0.463  0.927  0.653  1.0
  O  O28  1  0.657  0.133  0.051  1.0
  O  O29  1  0.857  0.327  0.453  1.0
  O  O30  1  0.901  0.436  0.645  1.0
  O  O31  1  0.290  0.841  0.447  1.0
  O  O32  1  0.701  0.234  0.245  1.0
  O  O33  1  0.112  0.643  0.046  1.0
  O  O34  1  0.501  0.044  0.850  1.0
  O  O35  1  0.299  0.766  0.755  1.0
  O  O36  1  0.710  0.159  0.553  1.0
  O  O37  1  0.099  0.564  0.355  1.0
  O  O38  1  0.499  0.956  0.150  1.0
  O  O39  1  0.888  0.357  0.954  1.0
  O  O40  1  0.418  0.483  0.662  1.0
  O  O41  1  0.805  0.884  0.461  1.0
  O  O42  1  0.217  0.282  0.261  1.0
  O  O43  1  0.613  0.682  0.059  1.0
  O  O44  1  0.006  0.088  0.864  1.0
  O  O45  1  0.387  0.318  0.941  1.0
  O  O46  1  0.783  0.718  0.739  1.0
  O  O47  1  0.195  0.116  0.539  1.0
  O  O48  1  0.582  0.517  0.338  1.0
  O  O49  1  0.994  0.912  0.136  1.0
[/CIF]
.
The structure described by Ba10Nd4Y(MoO6)5 crystallizes in the triclinic P-1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(15), one O(2), one O(5), one O(6), two equivalent O(1), two equivalent O(13), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded to one O(1), one O(13), one O(14), one O(4), one O(8), one O(9), two equivalent O(10), two equivalent O(15), and two equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Y(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra, faces with three equivalent Nd(1)O6 octahedra, and faces with three equivalent Mo(1)O6 octahedra. In the third Ba site, Ba(3) is bonded to one O(11), one O(5), one O(6), three equivalent O(12), three equivalent O(3), and three equivalent O(7) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Mo(2)O6 octahedra, faces with three equivalent Mo(3)O6 octahedra, and faces with four equivalent Nd(2)O6 octahedra. In the fourth Ba site, Ba(4) is bonded to one O(10), one O(15), one O(2), three equivalent O(14), three equivalent O(4), and three equivalent O(9) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Nd(1)O6 octahedra, faces with three equivalent Y(1)O6 octahedra, and faces with four equivalent Mo(1)O6 octahedra. In the fifth Ba site, Ba(5) is bonded to one O(1), one O(12), one O(13), one O(3), one O(7), one O(8), two equivalent O(11), two equivalent O(5), and two equivalent O(6) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Nd(1)O6 octahedra,  a faceface with one Mo(3)O6 octahedra, faces with three equivalent Nd(2)O6 octahedra, and faces with three equivalent Mo(2)O6 octahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one O(1), one O(10), one O(13), one O(15), one O(2), and one O(8) atom to form NdO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-18°. In the second Nd site, Nd(2) is bonded to one O(11), one O(12), one O(3), one O(5), one O(6), and one O(7) atom to form NdO6 octahedra that share corners with three equivalent Mo(2)O6 octahedra, corners with three equivalent Mo(3)O6 octahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and faces with four equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-19°. Y(1) is bonded to two equivalent O(14), two equivalent O(4), and two equivalent O(9) atoms to form YO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and faces with six equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(14), one O(15), one O(2), one O(4), and one O(9) atom to form MoO6 octahedra that share corners with three equivalent Nd(1)O6 octahedra, corners with three equivalent Y(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and faces with four equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the second Mo site, Mo(2) is bonded to one O(1), one O(11), one O(13), one O(5), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Nd(1)O6 octahedra, corners with three equivalent Nd(2)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-19°. In the third Mo site, Mo(3) is bonded to two equivalent O(12), two equivalent O(3), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with six equivalent Nd(2)O6 octahedra, faces with two equivalent Ba(5)O12 cuboctahedra, and faces with six equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-19°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Ba(5), two equivalent Ba(1), one Nd(1), and one Mo(2) atom to form distorted OBa4NdMo octahedra that share  a cornercorner with one O(2)Ba4NdMo octahedra,  a cornercorner with one O(3)Ba4NdMo octahedra,  a cornercorner with one O(5)Ba4NdMo octahedra,  a cornercorner with one O(4)Ba4YMo octahedra, corners with two equivalent O(1)Ba4NdMo octahedra, edges with two equivalent O(2)Ba4NdMo octahedra, and edges with two equivalent O(5)Ba4NdMo octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the second O site, O(2) is bonded to one Ba(1), one Ba(4), two equivalent Ba(2), one Nd(1), and one Mo(1) atom to form distorted OBa4NdMo octahedra that share  a cornercorner with one O(1)Ba4NdMo octahedra,  a cornercorner with one O(5)Ba4NdMo octahedra, corners with two equivalent O(2)Ba4NdMo octahedra, corners with two equivalent O(4)Ba4YMo octahedra, edges with two equivalent O(1)Ba4NdMo octahedra, and edges with two equivalent O(4)Ba4YMo octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded to one Ba(5), three equivalent Ba(3), one Nd(2), and one Mo(3) atom to form a mixture of distorted edge and corner-sharing OBa4NdMo octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(4) is bonded to one Ba(2), three equivalent Ba(4), one Y(1), and one Mo(1) atom to form distorted OBa4YMo octahedra that share  a cornercorner with one O(1)Ba4NdMo octahedra, corners with two equivalent O(2)Ba4NdMo octahedra, corners with three equivalent O(4)Ba4YMo octahedra, edges with two equivalent O(2)Ba4NdMo octahedra, and edges with two equivalent O(4)Ba4YMo octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Ba(1), one Ba(3), two equivalent Ba(5), one Nd(2), and one Mo(2) atom to form a mixture of distorted edge and corner-sharing OBa4NdMo octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(5), one Nd(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(5), three equivalent Ba(3), one Nd(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(1), one Nd(1), and one Mo(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(2), three equivalent Ba(4), one Y(1), and one Mo(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(4), two equivalent Ba(2), one Nd(1), and one Mo(1) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(5), one Nd(2), and one Mo(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(5), three equivalent Ba(3), one Nd(2), and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Ba(2), one Ba(5), two equivalent Ba(1), one Nd(1), and one Mo(2) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one Ba(2), three equivalent Ba(4), one Y(1), and one Mo(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), two equivalent Ba(2), one Nd(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Ba10Nd4Y(MoO6)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   6.113
_cell_length_c   25.085
_cell_angle_alpha   84.006
_cell_angle_beta   83.122
_cell_angle_gamma   60.311
_symmetry_Int_Tables_number   1
_cell_volume   800.543
_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  0.251  0.248  0.751  1.0
  Ba  Ba1  1  0.451  0.450  0.147  1.0
  Ba  Ba2  1  0.652  0.651  0.550  1.0
  Ba  Ba3  1  0.848  0.851  0.952  1.0
  Ba  Ba4  1  0.048  0.047  0.350  1.0
  Ba  Ba5  1  0.549  0.550  0.853  1.0
  Ba  Ba6  1  0.749  0.752  0.249  1.0
  Ba  Ba7  1  0.952  0.953  0.650  1.0
  Ba  Ba8  1  0.152  0.149  0.048  1.0
  Ba  Ba9  1  0.348  0.349  0.450  1.0
  Nd  Nd10  1  0.902  0.900  0.801  1.0
  Nd  Nd11  1  0.298  0.300  0.600  1.0
  Nd  Nd12  1  0.702  0.700  0.400  1.0
  Nd  Nd13  1  0.098  0.100  0.199  1.0
  Y  Y14  1  0.500  0.500  0.000  1.0
  Mo  Mo15  1  0.198  0.200  0.902  1.0
  Mo  Mo16  1  0.399  0.400  0.299  1.0
  Mo  Mo17  1  0.601  0.600  0.701  1.0
  Mo  Mo18  1  0.802  0.800  0.098  1.0
  Mo  Mo19  1  0.000  0.000  0.500  1.0
  O  O20  1  0.741  0.271  0.747  1.0
  O  O21  1  0.939  0.475  0.145  1.0
  O  O22  1  0.143  0.673  0.547  1.0
  O  O23  1  0.343  0.867  0.949  1.0
  O  O24  1  0.537  0.073  0.347  1.0
  O  O25  1  0.061  0.525  0.855  1.0
  O  O26  1  0.259  0.729  0.253  1.0
  O  O27  1  0.463  0.927  0.653  1.0
  O  O28  1  0.657  0.133  0.051  1.0
  O  O29  1  0.857  0.327  0.453  1.0
  O  O30  1  0.901  0.436  0.645  1.0
  O  O31  1  0.290  0.841  0.447  1.0
  O  O32  1  0.701  0.234  0.245  1.0
  O  O33  1  0.112  0.643  0.046  1.0
  O  O34  1  0.501  0.044  0.850  1.0
  O  O35  1  0.299  0.766  0.755  1.0
  O  O36  1  0.710  0.159  0.553  1.0
  O  O37  1  0.099  0.564  0.355  1.0
  O  O38  1  0.499  0.956  0.150  1.0
  O  O39  1  0.888  0.357  0.954  1.0
  O  O40  1  0.418  0.483  0.662  1.0
  O  O41  1  0.805  0.884  0.461  1.0
  O  O42  1  0.217  0.282  0.261  1.0
  O  O43  1  0.613  0.682  0.059  1.0
  O  O44  1  0.006  0.088  0.864  1.0
  O  O45  1  0.387  0.318  0.941  1.0
  O  O46  1  0.783  0.718  0.739  1.0
  O  O47  1  0.195  0.116  0.539  1.0
  O  O48  1  0.582  0.517  0.338  1.0
  O  O49  1  0.994  0.912  0.136  1.0
[/CIF]
.