The material structure described by LiBa8Ta7O24 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P3m1 space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Ta(7)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(7)O12 cuboctahedra, and  a faceface with one Ta(4)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(4), three equivalent O(5), and six equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra, faces with three equivalent Ba(8)O12 cuboctahedra,  a faceface with one Ta(1)O6 octahedra,  a faceface with one Ta(5)O6 octahedra, faces with three equivalent Ta(2)O6 octahedra, and faces with three equivalent Ta(3)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent O(2), and six equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded to three equivalent O(4), three equivalent O(8), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(7)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Li(1)O6 octahedra,  a faceface with one Ta(2)O6 octahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with three equivalent Ta(7)O6 octahedra. In the fourth Ba site, Ba(4) is bonded to three equivalent O(5), three equivalent O(7), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(7)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(8)O12 cuboctahedra,  a faceface with one Ta(3)O6 octahedra,  a faceface with one Ta(4)O6 octahedra, faces with three equivalent Ta(5)O6 octahedra, and faces with three equivalent Ta(6)O6 octahedra. In the fifth Ba site, Ba(5) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(7) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(8)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Li(1)O6 octahedra, faces with three equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(7)O12 cuboctahedra,  a faceface with one Ta(5)O6 octahedra, faces with three equivalent Ta(4)O6 octahedra, and faces with three equivalent Ta(6)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the sixth Ba site, Ba(6) is bonded to three equivalent O(2), three equivalent O(6), and six equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(6)O12 cuboctahedra, corners with three equivalent Ta(3)O6 octahedra,  a faceface with one Ba(8)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ta(7)O6 octahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with three equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the seventh Ba site, Ba(7) is bonded to three equivalent O(7), three equivalent O(8), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ba(7)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Ta(6)O6 octahedra,  a faceface with one Ta(7)O6 octahedra, faces with three equivalent Li(1)O6 octahedra, and faces with three equivalent Ta(4)O6 octahedra. In the eighth Ba site, Ba(8) is bonded to three equivalent O(3), three equivalent O(6), and six equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(8)O12 cuboctahedra, corners with three equivalent Ta(2)O6 octahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Ta(6)O6 octahedra, faces with three equivalent Ta(3)O6 octahedra, and faces with three equivalent Ta(5)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are seven inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form TaO6 octahedra that share corners with three equivalent Ta(2)O6 octahedra, corners with three equivalent Ta(7)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Ta site, Ta(2) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form TaO6 octahedra that share corners with three equivalent Ba(8)O12 cuboctahedra, corners with three equivalent Ta(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra, and  a faceface with one Ta(3)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the third Ta site, Ta(3) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form TaO6 octahedra that share corners with three equivalent Ba(6)O12 cuboctahedra, corners with three equivalent Ta(5)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(8)O12 cuboctahedra, and  a faceface with one Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the fourth Ta site, Ta(4) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form TaO6 octahedra that share corners with three equivalent Ta(6)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(7)O12 cuboctahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the fifth Ta site, Ta(5) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form TaO6 octahedra that share corners with three equivalent Ta(3)O6 octahedra, corners with three equivalent Ta(6)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, and faces with three equivalent Ba(8)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the sixth Ta site, Ta(6) is bonded to three equivalent O(3) and three equivalent O(7) atoms to form TaO6 octahedra that share corners with three equivalent Ta(4)O6 octahedra, corners with three equivalent Ta(5)O6 octahedra,  a faceface with one Ba(7)O12 cuboctahedra,  a faceface with one Ba(8)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, and faces with three equivalent Ba(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the seventh Ta site, Ta(7) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form TaO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Ta(1)O6 octahedra,  a faceface with one Ba(6)O12 cuboctahedra,  a faceface with one Ba(7)O12 cuboctahedra, and faces with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Ba(2), one Ba(5), two equivalent Ba(7), and one Ta(4) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Ba(6), two equivalent Ba(3), one Ta(1), and one Ta(7) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(5), one Ba(8), two equivalent Ba(4), one Ta(5), and one Ta(6) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(6), one Ta(1), and one Ta(2) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Ba(1), one Ba(4), two equivalent Ba(8), one Ta(3), and one Ta(5) atom. In the sixth O site, O(6) is bonded to one Ba(6), one Ba(8), two equivalent Ba(1), one Ta(2), and one Ta(3) atom to form a mixture of distorted face and corner-sharing OBa4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 2-60°. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Ba(4), one Ba(7), two equivalent Ba(5), one Ta(4), and one Ta(6) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Li(1), one Ba(3), one Ba(7), two equivalent Ba(2), and one Ta(7) atom. is represented by the CIF card [CIF]
data_Ba8LiTa7O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.898
_cell_length_b   5.898
_cell_length_c   19.147
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   576.874
_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  0.333  0.667  0.250  1.0
  Ba  Ba1  1  0.333  0.667  0.855  1.0
  Ba  Ba2  1  0.000  0.000  0.994  1.0
  Ba  Ba3  1  0.000  0.000  0.501  1.0
  Ba  Ba4  1  0.333  0.667  0.634  1.0
  Ba  Ba5  1  0.667  0.333  0.132  1.0
  Ba  Ba6  1  0.667  0.333  0.754  1.0
  Ba  Ba7  1  0.667  0.333  0.365  1.0
  Li  Li8  1  0.000  0.000  0.833  1.0
  Ta  Ta9  1  0.333  0.667  0.061  1.0
  Ta  Ta10  1  0.000  0.000  0.182  1.0
  Ta  Ta11  1  0.000  0.000  0.318  1.0
  Ta  Ta12  1  0.000  0.000  0.689  1.0
  Ta  Ta13  1  0.333  0.667  0.439  1.0
  Ta  Ta14  1  0.667  0.333  0.560  1.0
  Ta  Ta15  1  0.667  0.333  0.936  1.0
  O  O16  1  0.158  0.842  0.743  1.0
  O  O17  1  0.001  0.500  0.005  1.0
  O  O18  1  0.999  0.499  0.499  1.0
  O  O19  1  0.170  0.830  0.124  1.0
  O  O20  1  0.169  0.831  0.377  1.0
  O  O21  1  0.170  0.340  0.124  1.0
  O  O22  1  0.169  0.338  0.377  1.0
  O  O23  1  0.158  0.316  0.743  1.0
  O  O24  1  0.322  0.161  0.250  1.0
  O  O25  1  0.662  0.831  0.377  1.0
  O  O26  1  0.660  0.830  0.124  1.0
  O  O27  1  0.500  0.500  0.005  1.0
  O  O28  1  0.501  0.499  0.499  1.0
  O  O29  1  0.336  0.168  0.620  1.0
  O  O30  1  0.349  0.174  0.882  1.0
  O  O31  1  0.684  0.842  0.743  1.0
  O  O32  1  0.832  0.664  0.620  1.0
  O  O33  1  0.500  0.999  0.005  1.0
  O  O34  1  0.501  0.001  0.499  1.0
  O  O35  1  0.826  0.651  0.882  1.0
  O  O36  1  0.839  0.678  0.250  1.0
  O  O37  1  0.826  0.174  0.882  1.0
  O  O38  1  0.832  0.168  0.620  1.0
  O  O39  1  0.839  0.161  0.250  1.0
[/CIF]
.
The material structure described by LiBa8Ta7O24 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P3m1 space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(8) atoms to form distorted LiO6 octahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Ta(7)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(7)O12 cuboctahedra, and  a faceface with one Ta(4)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(4), three equivalent O(5), and six equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra, faces with three equivalent Ba(8)O12 cuboctahedra,  a faceface with one Ta(1)O6 octahedra,  a faceface with one Ta(5)O6 octahedra, faces with three equivalent Ta(2)O6 octahedra, and faces with three equivalent Ta(3)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent O(2), and six equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded to three equivalent O(4), three equivalent O(8), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(7)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Li(1)O6 octahedra,  a faceface with one Ta(2)O6 octahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with three equivalent Ta(7)O6 octahedra. In the fourth Ba site, Ba(4) is bonded to three equivalent O(5), three equivalent O(7), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(7)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(8)O12 cuboctahedra,  a faceface with one Ta(3)O6 octahedra,  a faceface with one Ta(4)O6 octahedra, faces with three equivalent Ta(5)O6 octahedra, and faces with three equivalent Ta(6)O6 octahedra. In the fifth Ba site, Ba(5) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(7) atoms to form distorted BaO12 cuboctahedra that share corners with three equivalent Ba(8)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Li(1)O6 octahedra, faces with three equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(7)O12 cuboctahedra,  a faceface with one Ta(5)O6 octahedra, faces with three equivalent Ta(4)O6 octahedra, and faces with three equivalent Ta(6)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the sixth Ba site, Ba(6) is bonded to three equivalent O(2), three equivalent O(6), and six equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(6)O12 cuboctahedra, corners with three equivalent Ta(3)O6 octahedra,  a faceface with one Ba(8)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ta(7)O6 octahedra, faces with three equivalent Ta(1)O6 octahedra, and faces with three equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the seventh Ba site, Ba(7) is bonded to three equivalent O(7), three equivalent O(8), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ba(4)O12 cuboctahedra, corners with six equivalent Ba(7)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Ta(6)O6 octahedra,  a faceface with one Ta(7)O6 octahedra, faces with three equivalent Li(1)O6 octahedra, and faces with three equivalent Ta(4)O6 octahedra. In the eighth Ba site, Ba(8) is bonded to three equivalent O(3), three equivalent O(6), and six equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(8)O12 cuboctahedra, corners with three equivalent Ta(2)O6 octahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Ta(6)O6 octahedra, faces with three equivalent Ta(3)O6 octahedra, and faces with three equivalent Ta(5)O6 octahedra. The corner-sharing octahedral tilt angles are 13°. There are seven inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form TaO6 octahedra that share corners with three equivalent Ta(2)O6 octahedra, corners with three equivalent Ta(7)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Ta site, Ta(2) is bonded to three equivalent O(4) and three equivalent O(6) atoms to form TaO6 octahedra that share corners with three equivalent Ba(8)O12 cuboctahedra, corners with three equivalent Ta(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra, and  a faceface with one Ta(3)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the third Ta site, Ta(3) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form TaO6 octahedra that share corners with three equivalent Ba(6)O12 cuboctahedra, corners with three equivalent Ta(5)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(8)O12 cuboctahedra, and  a faceface with one Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the fourth Ta site, Ta(4) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form TaO6 octahedra that share corners with three equivalent Ta(6)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, faces with three equivalent Ba(7)O12 cuboctahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the fifth Ta site, Ta(5) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form TaO6 octahedra that share corners with three equivalent Ta(3)O6 octahedra, corners with three equivalent Ta(6)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, and faces with three equivalent Ba(8)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the sixth Ta site, Ta(6) is bonded to three equivalent O(3) and three equivalent O(7) atoms to form TaO6 octahedra that share corners with three equivalent Ta(4)O6 octahedra, corners with three equivalent Ta(5)O6 octahedra,  a faceface with one Ba(7)O12 cuboctahedra,  a faceface with one Ba(8)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, and faces with three equivalent Ba(5)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the seventh Ta site, Ta(7) is bonded to three equivalent O(2) and three equivalent O(8) atoms to form TaO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Ta(1)O6 octahedra,  a faceface with one Ba(6)O12 cuboctahedra,  a faceface with one Ba(7)O12 cuboctahedra, and faces with three equivalent Ba(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Ba(2), one Ba(5), two equivalent Ba(7), and one Ta(4) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Ba(6), two equivalent Ba(3), one Ta(1), and one Ta(7) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(5), one Ba(8), two equivalent Ba(4), one Ta(5), and one Ta(6) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(6), one Ta(1), and one Ta(2) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Ba(1), one Ba(4), two equivalent Ba(8), one Ta(3), and one Ta(5) atom. In the sixth O site, O(6) is bonded to one Ba(6), one Ba(8), two equivalent Ba(1), one Ta(2), and one Ta(3) atom to form a mixture of distorted face and corner-sharing OBa4Ta2 octahedra. The corner-sharing octahedral tilt angles range from 2-60°. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Ba(4), one Ba(7), two equivalent Ba(5), one Ta(4), and one Ta(6) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Li(1), one Ba(3), one Ba(7), two equivalent Ba(2), and one Ta(7) atom. is represented by the CIF card [CIF]
data_Ba8LiTa7O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.898
_cell_length_b   5.898
_cell_length_c   19.147
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   576.874
_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  0.333  0.667  0.250  1.0
  Ba  Ba1  1  0.333  0.667  0.855  1.0
  Ba  Ba2  1  0.000  0.000  0.994  1.0
  Ba  Ba3  1  0.000  0.000  0.501  1.0
  Ba  Ba4  1  0.333  0.667  0.634  1.0
  Ba  Ba5  1  0.667  0.333  0.132  1.0
  Ba  Ba6  1  0.667  0.333  0.754  1.0
  Ba  Ba7  1  0.667  0.333  0.365  1.0
  Li  Li8  1  0.000  0.000  0.833  1.0
  Ta  Ta9  1  0.333  0.667  0.061  1.0
  Ta  Ta10  1  0.000  0.000  0.182  1.0
  Ta  Ta11  1  0.000  0.000  0.318  1.0
  Ta  Ta12  1  0.000  0.000  0.689  1.0
  Ta  Ta13  1  0.333  0.667  0.439  1.0
  Ta  Ta14  1  0.667  0.333  0.560  1.0
  Ta  Ta15  1  0.667  0.333  0.936  1.0
  O  O16  1  0.158  0.842  0.743  1.0
  O  O17  1  0.001  0.500  0.005  1.0
  O  O18  1  0.999  0.499  0.499  1.0
  O  O19  1  0.170  0.830  0.124  1.0
  O  O20  1  0.169  0.831  0.377  1.0
  O  O21  1  0.170  0.340  0.124  1.0
  O  O22  1  0.169  0.338  0.377  1.0
  O  O23  1  0.158  0.316  0.743  1.0
  O  O24  1  0.322  0.161  0.250  1.0
  O  O25  1  0.662  0.831  0.377  1.0
  O  O26  1  0.660  0.830  0.124  1.0
  O  O27  1  0.500  0.500  0.005  1.0
  O  O28  1  0.501  0.499  0.499  1.0
  O  O29  1  0.336  0.168  0.620  1.0
  O  O30  1  0.349  0.174  0.882  1.0
  O  O31  1  0.684  0.842  0.743  1.0
  O  O32  1  0.832  0.664  0.620  1.0
  O  O33  1  0.500  0.999  0.005  1.0
  O  O34  1  0.501  0.001  0.499  1.0
  O  O35  1  0.826  0.651  0.882  1.0
  O  O36  1  0.839  0.678  0.250  1.0
  O  O37  1  0.826  0.174  0.882  1.0
  O  O38  1  0.832  0.168  0.620  1.0
  O  O39  1  0.839  0.161  0.250  1.0
[/CIF]
.