The material described by MgTa4Nb4Mn4O24 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(12), one O(16), one O(17), and one O(9) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one Nb(4)O6 octahedra, corners with two equivalent Ta(4)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(1)O4 tetrahedra, and  an edgeedge with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-79°. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(13), one O(20), one O(21), one O(3), one O(5), and one O(6) atom to form distorted TaO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Mn(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-51°. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one O(14), one O(19), one O(22), one O(4), one O(5), and one O(6) atom. In the third Ta site, Ta(3) is bonded to one O(1), one O(15), one O(18), one O(23), one O(7), and one O(8) atom to form distorted TaO6 octahedra that share corners with two equivalent Ta(4)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the fourth Ta site, Ta(4) is bonded to one O(16), one O(17), one O(2), one O(24), one O(7), and one O(8) atom to form distorted TaO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-50°. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(17), one O(2), one O(24), one O(7), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Mn(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ta(4)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(18), one O(2), one O(23), and one O(8) atom to form distorted NbO6 octahedra that share corners with two equivalent Ta(4)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Ta(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the third Nb site, Nb(3) is bonded to one O(11), one O(19), one O(22), one O(3), one O(4), and one O(5) atom to form distorted NbO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the fourth Nb site, Nb(4) is bonded to one O(12), one O(20), one O(21), one O(3), one O(4), and one O(6) atom to form distorted NbO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(13), one O(20), and one O(9) atom to form MnO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-67°. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(14), one O(15), one O(18), and one O(19) atom to form MnO6 octahedra that share corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the third Mn site, Mn(3) is bonded to one O(13), one O(16), one O(17), one O(20), one O(21), and one O(24) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(4)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra,  an edgeedge with one Ta(1)O6 octahedra,  an edgeedge with one Ta(4)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(14), one O(15), one O(22), and one O(23) atom to form MnO6 octahedra that share corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ta(3), one Nb(1), and one Nb(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(4), one Nb(1), and one Nb(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ta(1), one Nb(3), and one Nb(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ta(2), one Nb(3), and one Nb(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one Nb(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Nb(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ta(3), one Ta(4), and one Nb(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ta(3), one Ta(4), and one Nb(2) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Mg(1), one Nb(1), and one Mn(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Nb(2), one Mn(2), and one Mn(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Nb(3), one Mn(2), and one Mn(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one Nb(4), and one Mn(1) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Ta(1), one Mn(1), and one Mn(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Ta(2), one Mn(2), and one Mn(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Ta(3), one Mn(2), and one Mn(4) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Mg(1), one Ta(4), and one Mn(3) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ta(4), one Nb(1), and one Mn(3) atom. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Ta(3), one Nb(2), and one Mn(2) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Ta(2), one Nb(3), and one Mn(2) atom. In the twentieth O site, O(20) is bonded in a tetrahedral geometry to one Ta(1), one Nb(4), one Mn(1), and one Mn(3) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Ta(1), one Nb(4), and one Mn(3) atom. In the twenty-second O site, O(22) is bonded in a trigonal planar geometry to one Ta(2), one Nb(3), and one Mn(4) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Ta(3), one Nb(2), and one Mn(4) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Ta(4), one Nb(1), and one Mn(3) atom. is represented by the CIF card [CIF]
data_MgTa4Mn4Nb4O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.245
_cell_length_b   6.065
_cell_length_c   14.747
_cell_angle_alpha   90.339
_cell_angle_beta   85.201
_cell_angle_gamma   90.649
_symmetry_Int_Tables_number   1
_cell_volume   467.401
_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
  Mg  Mg0  1  0.902  0.147  0.952  1.0
  Ta  Ta1  1  0.321  0.667  0.172  1.0
  Ta  Ta2  1  0.793  0.828  0.343  1.0
  Ta  Ta3  1  0.694  0.837  0.656  1.0
  Ta  Ta4  1  0.176  0.674  0.829  1.0
  Mn  Mn5  1  0.366  0.153  0.046  1.0
  Mn  Mn6  1  0.744  0.334  0.499  1.0
  Mn  Mn7  1  0.753  0.657  0.001  1.0
  Mn  Mn8  1  0.246  0.667  0.499  1.0
  Nb  Nb9  1  0.645  0.358  0.813  1.0
  Nb  Nb10  1  0.188  0.171  0.654  1.0
  Nb  Nb11  1  0.300  0.167  0.344  1.0
  Nb  Nb12  1  0.838  0.337  0.180  1.0
  O  O13  1  0.862  0.143  0.740  1.0
  O  O14  1  0.323  0.389  0.749  1.0
  O  O15  1  0.163  0.373  0.246  1.0
  O  O16  1  0.632  0.130  0.256  1.0
  O  O17  1  0.135  0.866  0.259  1.0
  O  O18  1  0.643  0.630  0.249  1.0
  O  O19  1  0.844  0.643  0.749  1.0
  O  O20  1  0.355  0.875  0.740  1.0
  O  O21  1  0.545  0.171  0.915  1.0
  O  O22  1  0.075  0.376  0.575  1.0
  O  O23  1  0.419  0.375  0.421  1.0
  O  O24  1  0.980  0.161  0.079  1.0
  O  O25  1  0.493  0.858  0.087  1.0
  O  O26  1  0.914  0.622  0.418  1.0
  O  O27  1  0.575  0.626  0.580  1.0
  O  O28  1  0.016  0.864  0.916  1.0
  O  O29  1  0.957  0.432  0.896  1.0
  O  O30  1  0.545  0.100  0.597  1.0
  O  O31  1  0.944  0.095  0.400  1.0
  O  O32  1  0.542  0.421  0.101  1.0
  O  O33  1  0.030  0.605  0.106  1.0
  O  O34  1  0.457  0.891  0.403  1.0
  O  O35  1  0.033  0.894  0.594  1.0
  O  O36  1  0.469  0.617  0.893  1.0
[/CIF]
.
The material described by MgTa4Nb4Mn4O24 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(12), one O(16), one O(17), and one O(9) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one Nb(4)O6 octahedra, corners with two equivalent Ta(4)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(1)O4 tetrahedra, and  an edgeedge with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-79°. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(13), one O(20), one O(21), one O(3), one O(5), and one O(6) atom to form distorted TaO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Mn(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-51°. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one O(14), one O(19), one O(22), one O(4), one O(5), and one O(6) atom. In the third Ta site, Ta(3) is bonded to one O(1), one O(15), one O(18), one O(23), one O(7), and one O(8) atom to form distorted TaO6 octahedra that share corners with two equivalent Ta(4)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the fourth Ta site, Ta(4) is bonded to one O(16), one O(17), one O(2), one O(24), one O(7), and one O(8) atom to form distorted TaO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-50°. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(17), one O(2), one O(24), one O(7), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one Mn(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Ta(4)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(18), one O(2), one O(23), and one O(8) atom to form distorted NbO6 octahedra that share corners with two equivalent Ta(4)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Ta(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the third Nb site, Nb(3) is bonded to one O(11), one O(19), one O(22), one O(3), one O(4), and one O(5) atom to form distorted NbO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the fourth Nb site, Nb(4) is bonded to one O(12), one O(20), one O(21), one O(3), one O(4), and one O(6) atom to form distorted NbO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(13), one O(20), and one O(9) atom to form MnO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-67°. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(14), one O(15), one O(18), and one O(19) atom to form MnO6 octahedra that share corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the third Mn site, Mn(3) is bonded to one O(13), one O(16), one O(17), one O(20), one O(21), and one O(24) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(4)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra,  an edgeedge with one Ta(1)O6 octahedra,  an edgeedge with one Ta(4)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(14), one O(15), one O(22), and one O(23) atom to form MnO6 octahedra that share corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ta(3), one Nb(1), and one Nb(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(4), one Nb(1), and one Nb(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ta(1), one Nb(3), and one Nb(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ta(2), one Nb(3), and one Nb(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one Nb(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Nb(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ta(3), one Ta(4), and one Nb(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ta(3), one Ta(4), and one Nb(2) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Mg(1), one Nb(1), and one Mn(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Nb(2), one Mn(2), and one Mn(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Nb(3), one Mn(2), and one Mn(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one Nb(4), and one Mn(1) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Ta(1), one Mn(1), and one Mn(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Ta(2), one Mn(2), and one Mn(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Ta(3), one Mn(2), and one Mn(4) atom. In the sixteenth O site, O(16) is bonded in a distorted T-shaped geometry to one Mg(1), one Ta(4), and one Mn(3) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ta(4), one Nb(1), and one Mn(3) atom. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Ta(3), one Nb(2), and one Mn(2) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Ta(2), one Nb(3), and one Mn(2) atom. In the twentieth O site, O(20) is bonded in a tetrahedral geometry to one Ta(1), one Nb(4), one Mn(1), and one Mn(3) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Ta(1), one Nb(4), and one Mn(3) atom. In the twenty-second O site, O(22) is bonded in a trigonal planar geometry to one Ta(2), one Nb(3), and one Mn(4) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Ta(3), one Nb(2), and one Mn(4) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Ta(4), one Nb(1), and one Mn(3) atom. is represented by the CIF card [CIF]
data_MgTa4Mn4Nb4O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.245
_cell_length_b   6.065
_cell_length_c   14.747
_cell_angle_alpha   90.339
_cell_angle_beta   85.201
_cell_angle_gamma   90.649
_symmetry_Int_Tables_number   1
_cell_volume   467.401
_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
  Mg  Mg0  1  0.902  0.147  0.952  1.0
  Ta  Ta1  1  0.321  0.667  0.172  1.0
  Ta  Ta2  1  0.793  0.828  0.343  1.0
  Ta  Ta3  1  0.694  0.837  0.656  1.0
  Ta  Ta4  1  0.176  0.674  0.829  1.0
  Mn  Mn5  1  0.366  0.153  0.046  1.0
  Mn  Mn6  1  0.744  0.334  0.499  1.0
  Mn  Mn7  1  0.753  0.657  0.001  1.0
  Mn  Mn8  1  0.246  0.667  0.499  1.0
  Nb  Nb9  1  0.645  0.358  0.813  1.0
  Nb  Nb10  1  0.188  0.171  0.654  1.0
  Nb  Nb11  1  0.300  0.167  0.344  1.0
  Nb  Nb12  1  0.838  0.337  0.180  1.0
  O  O13  1  0.862  0.143  0.740  1.0
  O  O14  1  0.323  0.389  0.749  1.0
  O  O15  1  0.163  0.373  0.246  1.0
  O  O16  1  0.632  0.130  0.256  1.0
  O  O17  1  0.135  0.866  0.259  1.0
  O  O18  1  0.643  0.630  0.249  1.0
  O  O19  1  0.844  0.643  0.749  1.0
  O  O20  1  0.355  0.875  0.740  1.0
  O  O21  1  0.545  0.171  0.915  1.0
  O  O22  1  0.075  0.376  0.575  1.0
  O  O23  1  0.419  0.375  0.421  1.0
  O  O24  1  0.980  0.161  0.079  1.0
  O  O25  1  0.493  0.858  0.087  1.0
  O  O26  1  0.914  0.622  0.418  1.0
  O  O27  1  0.575  0.626  0.580  1.0
  O  O28  1  0.016  0.864  0.916  1.0
  O  O29  1  0.957  0.432  0.896  1.0
  O  O30  1  0.545  0.100  0.597  1.0
  O  O31  1  0.944  0.095  0.400  1.0
  O  O32  1  0.542  0.421  0.101  1.0
  O  O33  1  0.030  0.605  0.106  1.0
  O  O34  1  0.457  0.891  0.403  1.0
  O  O35  1  0.033  0.894  0.594  1.0
  O  O36  1  0.469  0.617  0.893  1.0
[/CIF]
.