The structure described by Ba2OsNiO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(10), one O(6), two equivalent O(2), two equivalent O(5), two equivalent O(9), and four equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ba(6)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Os(1)O6 octahedra,  a faceface with one Ni(1)O6 octahedra, faces with three equivalent Os(3)O6 octahedra, and faces with three equivalent Ni(3)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(12), one O(8), two equivalent O(11), two equivalent O(4), two equivalent O(7), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)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, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Os(1)O6 octahedra,  a faceface with one Ni(1)O6 octahedra, faces with three equivalent Os(2)O6 octahedra, and faces with three equivalent Ni(2)O6 octahedra. In the third Ba site, Ba(3) is bonded to one O(2), one O(8), two equivalent O(1), two equivalent O(6), two equivalent O(7), and four equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ni(3)O6 octahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Os(2)O6 octahedra, faces with three equivalent Os(3)O6 octahedra, and faces with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the fourth Ba site, Ba(4) is bonded to one O(4), one O(6), two equivalent O(3), two equivalent O(5), two equivalent O(8), and four equivalent O(7) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ni(2)O6 octahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Os(3)O6 octahedra, faces with three equivalent Os(2)O6 octahedra, and faces with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the fifth Ba site, Ba(5) is bonded to one O(12), one O(2), two equivalent O(1), two equivalent O(10), two equivalent O(11), and four equivalent O(9) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Os(3)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,  a faceface with one Ni(2)O6 octahedra, faces with three equivalent Os(1)O6 octahedra, and faces with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. In the sixth Ba site, Ba(6) is bonded to one O(10), one O(4), two equivalent O(12), two equivalent O(3), two equivalent O(9), and four equivalent O(11) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(6)O12 cuboctahedra, corners with three equivalent Os(2)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Ni(3)O6 octahedra, faces with three equivalent Os(1)O6 octahedra, and faces with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. There are three inequivalent Os sites. In the first Os site, Os(1) is bonded to one O(10), one O(12), two equivalent O(11), and two equivalent O(9) atoms to form OsO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and faces with three equivalent Ba(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Os site, Os(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form OsO6 octahedra that share corners with three equivalent Ba(6)O12 cuboctahedra, corners with three equivalent Ni(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third Os site, Os(3) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form OsO6 octahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Ni(1)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(6), one O(8), two equivalent O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with three equivalent Os(2)O6 octahedra, corners with three equivalent Os(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. In the second Ni site, Ni(2) is bonded to one O(12), one O(4), two equivalent O(11), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Os(1)O6 octahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra, and  a faceface with one Os(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the third Ni site, Ni(3) is bonded to one O(10), one O(2), two equivalent O(1), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Os(1)O6 octahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and  a faceface with one Os(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ba(3), one Ba(5), two equivalent Ba(1), one Os(3), and one Ni(3) atom to form a mixture of distorted corner and face-sharing OBa4NiOs octahedra. The corner-sharing octahedral tilt angles range from 6-60°. In the second O site, O(2) is bonded to one Ba(3), one Ba(5), two equivalent Ba(1), one Os(3), and one Ni(3) atom to form a mixture of distorted corner and face-sharing OBa4NiOs octahedra. The corner-sharing octahedral tilt angles range from 6-60°. In the third O site, O(3) is bonded to one Ba(4), one Ba(6), two equivalent Ba(2), one Os(2), and one Ni(2) atom to form a mixture of distorted corner and face-sharing OBa4NiOs octahedra. The corner-sharing octahedral tilt angles range from 6-60°. In the fourth O site, O(4) is bonded to one Ba(4), one Ba(6), two equivalent Ba(2), one Os(2), and one Ni(2) atom to form a mixture of distorted corner and face-sharing OBa4NiOs octahedra. The corner-sharing octahedral tilt angles range from 6-60°. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Ba(1), one Ba(4), two equivalent Ba(3), one Os(3), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Ba(1), one Ba(4), two equivalent Ba(3), one Os(3), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(4), one Os(2), and one Ni(1) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(4), one Os(2), and one Ni(1) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Ba(1), one Ba(6), two equivalent Ba(5), one Os(1), and one Ni(3) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Ba(1), one Ba(6), two equivalent Ba(5), one Os(1), and one Ni(3) atom. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Ba(2), one Ba(5), two equivalent Ba(6), one Os(1), and one Ni(2) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Ba(2), one Ba(5), two equivalent Ba(6), one Os(1), and one Ni(2) atom. is represented by the CIF card [CIF]
data_Ba2NiOsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.806
_cell_length_b   5.814
_cell_length_c   14.263
_cell_angle_alpha   90.092
_cell_angle_beta   90.012
_cell_angle_gamma   119.947
_symmetry_Int_Tables_number   1
_cell_volume   417.206
_cell_formula_units_Z   3
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  1.000  0.999  0.250  1.0
  Ba  Ba1  1  1.000  1.000  0.750  1.0
  Ba  Ba2  1  0.333  0.667  0.090  1.0
  Ba  Ba3  1  0.667  0.334  0.910  1.0
  Ba  Ba4  1  0.334  0.667  0.403  1.0
  Ba  Ba5  1  0.667  0.333  0.596  1.0
  Ni  Ni6  1  1.000  1.000  0.000  1.0
  Ni  Ni7  1  0.333  0.667  0.651  1.0
  Ni  Ni8  1  0.666  0.332  0.349  1.0
  Os  Os9  1  1.000  1.000  0.500  1.0
  Os  Os10  1  0.333  0.666  0.841  1.0
  Os  Os11  1  0.667  0.333  0.159  1.0
  O  O12  1  0.515  0.486  0.245  1.0
  O  O13  1  0.513  0.027  0.245  1.0
  O  O14  1  0.971  0.486  0.245  1.0
  O  O15  1  0.028  0.514  0.755  1.0
  O  O16  1  0.486  0.971  0.755  1.0
  O  O17  1  0.486  0.514  0.755  1.0
  O  O18  1  0.827  0.173  0.084  1.0
  O  O19  1  0.828  0.657  0.084  1.0
  O  O20  1  0.345  0.172  0.084  1.0
  O  O21  1  0.656  0.828  0.916  1.0
  O  O22  1  0.173  0.345  0.916  1.0
  O  O23  1  0.172  0.828  0.916  1.0
  O  O24  1  0.840  0.158  0.422  1.0
  O  O25  1  0.842  0.684  0.421  1.0
  O  O26  1  0.318  0.158  0.422  1.0
  O  O27  1  0.682  0.842  0.578  1.0
  O  O28  1  0.159  0.317  0.578  1.0
  O  O29  1  0.160  0.842  0.578  1.0
[/CIF]
.
The structure described by Ba2OsNiO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(10), one O(6), two equivalent O(2), two equivalent O(5), two equivalent O(9), and four equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ba(6)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Os(1)O6 octahedra,  a faceface with one Ni(1)O6 octahedra, faces with three equivalent Os(3)O6 octahedra, and faces with three equivalent Ni(3)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(12), one O(8), two equivalent O(11), two equivalent O(4), two equivalent O(7), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)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, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Os(1)O6 octahedra,  a faceface with one Ni(1)O6 octahedra, faces with three equivalent Os(2)O6 octahedra, and faces with three equivalent Ni(2)O6 octahedra. In the third Ba site, Ba(3) is bonded to one O(2), one O(8), two equivalent O(1), two equivalent O(6), two equivalent O(7), and four equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ni(3)O6 octahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Os(2)O6 octahedra, faces with three equivalent Os(3)O6 octahedra, and faces with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the fourth Ba site, Ba(4) is bonded to one O(4), one O(6), two equivalent O(3), two equivalent O(5), two equivalent O(8), and four equivalent O(7) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ni(2)O6 octahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Os(3)O6 octahedra, faces with three equivalent Os(2)O6 octahedra, and faces with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the fifth Ba site, Ba(5) is bonded to one O(12), one O(2), two equivalent O(1), two equivalent O(10), two equivalent O(11), and four equivalent O(9) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Os(3)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,  a faceface with one Ni(2)O6 octahedra, faces with three equivalent Os(1)O6 octahedra, and faces with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. In the sixth Ba site, Ba(6) is bonded to one O(10), one O(4), two equivalent O(12), two equivalent O(3), two equivalent O(9), and four equivalent O(11) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(6)O12 cuboctahedra, corners with three equivalent Os(2)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Ni(3)O6 octahedra, faces with three equivalent Os(1)O6 octahedra, and faces with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. There are three inequivalent Os sites. In the first Os site, Os(1) is bonded to one O(10), one O(12), two equivalent O(11), and two equivalent O(9) atoms to form OsO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and faces with three equivalent Ba(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Os site, Os(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form OsO6 octahedra that share corners with three equivalent Ba(6)O12 cuboctahedra, corners with three equivalent Ni(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third Os site, Os(3) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form OsO6 octahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Ni(1)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(6), one O(8), two equivalent O(5), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with three equivalent Os(2)O6 octahedra, corners with three equivalent Os(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 1°. In the second Ni site, Ni(2) is bonded to one O(12), one O(4), two equivalent O(11), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Os(1)O6 octahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra, and  a faceface with one Os(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the third Ni site, Ni(3) is bonded to one O(10), one O(2), two equivalent O(1), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Os(1)O6 octahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and  a faceface with one Os(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ba(3), one Ba(5), two equivalent Ba(1), one Os(3), and one Ni(3) atom to form a mixture of distorted corner and face-sharing OBa4NiOs octahedra. The corner-sharing octahedral tilt angles range from 6-60°. In the second O site, O(2) is bonded to one Ba(3), one Ba(5), two equivalent Ba(1), one Os(3), and one Ni(3) atom to form a mixture of distorted corner and face-sharing OBa4NiOs octahedra. The corner-sharing octahedral tilt angles range from 6-60°. In the third O site, O(3) is bonded to one Ba(4), one Ba(6), two equivalent Ba(2), one Os(2), and one Ni(2) atom to form a mixture of distorted corner and face-sharing OBa4NiOs octahedra. The corner-sharing octahedral tilt angles range from 6-60°. In the fourth O site, O(4) is bonded to one Ba(4), one Ba(6), two equivalent Ba(2), one Os(2), and one Ni(2) atom to form a mixture of distorted corner and face-sharing OBa4NiOs octahedra. The corner-sharing octahedral tilt angles range from 6-60°. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Ba(1), one Ba(4), two equivalent Ba(3), one Os(3), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Ba(1), one Ba(4), two equivalent Ba(3), one Os(3), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(4), one Os(2), and one Ni(1) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Ba(2), one Ba(3), two equivalent Ba(4), one Os(2), and one Ni(1) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Ba(1), one Ba(6), two equivalent Ba(5), one Os(1), and one Ni(3) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Ba(1), one Ba(6), two equivalent Ba(5), one Os(1), and one Ni(3) atom. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Ba(2), one Ba(5), two equivalent Ba(6), one Os(1), and one Ni(2) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Ba(2), one Ba(5), two equivalent Ba(6), one Os(1), and one Ni(2) atom. is represented by the CIF card [CIF]
data_Ba2NiOsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.806
_cell_length_b   5.814
_cell_length_c   14.263
_cell_angle_alpha   90.092
_cell_angle_beta   90.012
_cell_angle_gamma   119.947
_symmetry_Int_Tables_number   1
_cell_volume   417.206
_cell_formula_units_Z   3
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  1.000  0.999  0.250  1.0
  Ba  Ba1  1  1.000  1.000  0.750  1.0
  Ba  Ba2  1  0.333  0.667  0.090  1.0
  Ba  Ba3  1  0.667  0.334  0.910  1.0
  Ba  Ba4  1  0.334  0.667  0.403  1.0
  Ba  Ba5  1  0.667  0.333  0.596  1.0
  Ni  Ni6  1  1.000  1.000  0.000  1.0
  Ni  Ni7  1  0.333  0.667  0.651  1.0
  Ni  Ni8  1  0.666  0.332  0.349  1.0
  Os  Os9  1  1.000  1.000  0.500  1.0
  Os  Os10  1  0.333  0.666  0.841  1.0
  Os  Os11  1  0.667  0.333  0.159  1.0
  O  O12  1  0.515  0.486  0.245  1.0
  O  O13  1  0.513  0.027  0.245  1.0
  O  O14  1  0.971  0.486  0.245  1.0
  O  O15  1  0.028  0.514  0.755  1.0
  O  O16  1  0.486  0.971  0.755  1.0
  O  O17  1  0.486  0.514  0.755  1.0
  O  O18  1  0.827  0.173  0.084  1.0
  O  O19  1  0.828  0.657  0.084  1.0
  O  O20  1  0.345  0.172  0.084  1.0
  O  O21  1  0.656  0.828  0.916  1.0
  O  O22  1  0.173  0.345  0.916  1.0
  O  O23  1  0.172  0.828  0.916  1.0
  O  O24  1  0.840  0.158  0.422  1.0
  O  O25  1  0.842  0.684  0.421  1.0
  O  O26  1  0.318  0.158  0.422  1.0
  O  O27  1  0.682  0.842  0.578  1.0
  O  O28  1  0.159  0.317  0.578  1.0
  O  O29  1  0.160  0.842  0.578  1.0
[/CIF]
.