The material described by YbBaCo4O7 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), one O(9), two equivalent O(1), two equivalent O(12), and two equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra,  an edgeedge with one Co(2)O4 tetrahedra,  an edgeedge with one Co(3)O4 tetrahedra,  an edgeedge with one Co(7)O4 tetrahedra, edges with two equivalent Co(1)O4 tetrahedra, edges with two equivalent Co(5)O4 tetrahedra, edges with two equivalent Co(6)O4 tetrahedra, edges with three equivalent Co(8)O4 tetrahedra,  a faceface with one Yb(1)O6 octahedra, and faces with three equivalent Yb(2)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), one O(9), two equivalent O(10), two equivalent O(14), and two equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra,  an edgeedge with one Co(1)O4 tetrahedra,  an edgeedge with one Co(5)O4 tetrahedra,  an edgeedge with one Co(6)O4 tetrahedra, edges with two equivalent Co(2)O4 tetrahedra, edges with two equivalent Co(3)O4 tetrahedra, edges with two equivalent Co(7)O4 tetrahedra, edges with three equivalent Co(4)O4 tetrahedra,  a faceface with one Yb(2)O6 octahedra, and faces with three equivalent Yb(1)O6 octahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(10), one O(14), one O(2), one O(3), one O(6), and one O(8) atom to form YbO6 octahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(7)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(5)O4 tetrahedra, corners with two equivalent Co(6)O4 tetrahedra, corners with three equivalent Co(4)O4 tetrahedra,  a faceface with one Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. In the second Yb site, Yb(2) is bonded to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(9) atom to form YbO6 octahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, corners with two equivalent Co(7)O4 tetrahedra, corners with three equivalent Co(8)O4 tetrahedra,  a faceface with one Ba(2)O12 cuboctahedra, and faces with three equivalent Ba(1)O12 cuboctahedra. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(5)O4 tetrahedra, corners with two equivalent Co(6)O4 tetrahedra,  an edgeedge with one Ba(2)O12 cuboctahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second Co site, Co(2) is bonded to one O(11), one O(13), one O(3), and one O(4) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(1)O6 octahedra, corners with two equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, corners with two equivalent Co(7)O4 tetrahedra,  an edgeedge with one Ba(1)O12 cuboctahedra, and edges with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the third Co site, Co(3) is bonded to one O(11), one O(13), one O(14), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(1)O6 octahedra, corners with two equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(7)O4 tetrahedra,  an edgeedge with one Ba(1)O12 cuboctahedra, and edges with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the fourth Co site, Co(4) is bonded to one O(10), one O(14), one O(3), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra,  a cornercorner with one Co(7)O4 tetrahedra, and edges with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 56°. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(6)O4 tetrahedra,  an edgeedge with one Ba(2)O12 cuboctahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the sixth Co site, Co(6) is bonded to one O(12), one O(2), one O(6), and one O(7) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(5)O4 tetrahedra,  an edgeedge with one Ba(2)O12 cuboctahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the seventh Co site, Co(7) is bonded to one O(10), one O(13), one O(4), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(1)O6 octahedra, corners with two equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra,  an edgeedge with one Ba(1)O12 cuboctahedra, and edges with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the eighth Co site, Co(8) is bonded to one O(1), one O(12), one O(13), and one O(5) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra,  a cornercorner with one Co(7)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Yb(2), one Co(5), and one Co(8) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), one Yb(1), one Co(5), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2), one Yb(1), one Co(2), and one Co(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(2), one Co(2), and one Co(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Yb(2), one Co(1), and one Co(8) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), one Yb(1), one Co(1), and one Co(6) atom. In the seventh O site, O(7) is bonded in a tetrahedral geometry to one Co(1), one Co(4), one Co(5), and one Co(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), one Yb(1), one Co(1), and one Co(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(2), one Co(3), and one Co(7) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2), one Yb(1), one Co(4), and one Co(7) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(2), one Co(2), and one Co(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Yb(2), one Co(6), and one Co(8) atom. In the thirteenth O site, O(13) is bonded in a tetrahedral geometry to one Co(2), one Co(3), one Co(7), and one Co(8) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2), one Yb(1), one Co(3), and one Co(4) atom. is represented by the CIF card [CIF]
data_BaYbCo4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.258
_cell_length_b   6.251
_cell_length_c   10.240
_cell_angle_alpha   90.033
_cell_angle_beta   90.004
_cell_angle_gamma   119.957
_symmetry_Int_Tables_number   1
_cell_volume   347.039
_cell_formula_units_Z   2
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  0.666  0.333  0.493  1.0
  Ba  Ba1  1  0.333  0.666  0.003  1.0
  Yb  Yb2  1  0.667  0.333  0.867  1.0
  Yb  Yb3  1  0.333  0.667  0.377  1.0
  Co  Co4  1  0.164  0.832  0.684  1.0
  Co  Co5  1  0.828  0.652  0.178  1.0
  Co  Co6  1  0.824  0.172  0.178  1.0
  Co  Co7  1  1.000  1.000  0.928  1.0
  Co  Co8  1  0.667  0.835  0.683  1.0
  Co  Co9  1  0.169  0.333  0.683  1.0
  Co  Co10  1  0.348  0.176  0.178  1.0
  Co  Co11  1  1.000  1.000  0.425  1.0
  O  O12  1  0.690  0.851  0.504  1.0
  O  O13  1  0.491  0.513  0.736  1.0
  O  O14  1  0.845  0.674  0.994  1.0
  O  O15  1  0.504  0.500  0.246  1.0
  O  O16  1  0.149  0.839  0.504  1.0
  O  O17  1  0.022  0.509  0.737  1.0
  O  O18  1  0.999  0.000  0.740  1.0
  O  O19  1  0.487  0.978  0.736  1.0
  O  O20  1  0.500  0.004  0.246  1.0
  O  O21  1  0.326  0.170  0.994  1.0
  O  O22  1  0.996  0.496  0.247  1.0
  O  O23  1  0.162  0.310  0.504  1.0
  O  O24  1  0.000  0.000  0.241  1.0
  O  O25  1  0.830  0.155  0.994  1.0
[/CIF]
.
The material described by YbBaCo4O7 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), one O(9), two equivalent O(1), two equivalent O(12), and two equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra,  an edgeedge with one Co(2)O4 tetrahedra,  an edgeedge with one Co(3)O4 tetrahedra,  an edgeedge with one Co(7)O4 tetrahedra, edges with two equivalent Co(1)O4 tetrahedra, edges with two equivalent Co(5)O4 tetrahedra, edges with two equivalent Co(6)O4 tetrahedra, edges with three equivalent Co(8)O4 tetrahedra,  a faceface with one Yb(1)O6 octahedra, and faces with three equivalent Yb(2)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), one O(9), two equivalent O(10), two equivalent O(14), and two equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra,  an edgeedge with one Co(1)O4 tetrahedra,  an edgeedge with one Co(5)O4 tetrahedra,  an edgeedge with one Co(6)O4 tetrahedra, edges with two equivalent Co(2)O4 tetrahedra, edges with two equivalent Co(3)O4 tetrahedra, edges with two equivalent Co(7)O4 tetrahedra, edges with three equivalent Co(4)O4 tetrahedra,  a faceface with one Yb(2)O6 octahedra, and faces with three equivalent Yb(1)O6 octahedra. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(10), one O(14), one O(2), one O(3), one O(6), and one O(8) atom to form YbO6 octahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(7)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(5)O4 tetrahedra, corners with two equivalent Co(6)O4 tetrahedra, corners with three equivalent Co(4)O4 tetrahedra,  a faceface with one Ba(1)O12 cuboctahedra, and faces with three equivalent Ba(2)O12 cuboctahedra. In the second Yb site, Yb(2) is bonded to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(9) atom to form YbO6 octahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, corners with two equivalent Co(7)O4 tetrahedra, corners with three equivalent Co(8)O4 tetrahedra,  a faceface with one Ba(2)O12 cuboctahedra, and faces with three equivalent Ba(1)O12 cuboctahedra. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(5)O4 tetrahedra, corners with two equivalent Co(6)O4 tetrahedra,  an edgeedge with one Ba(2)O12 cuboctahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the second Co site, Co(2) is bonded to one O(11), one O(13), one O(3), and one O(4) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(1)O6 octahedra, corners with two equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, corners with two equivalent Co(7)O4 tetrahedra,  an edgeedge with one Ba(1)O12 cuboctahedra, and edges with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the third Co site, Co(3) is bonded to one O(11), one O(13), one O(14), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(1)O6 octahedra, corners with two equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(7)O4 tetrahedra,  an edgeedge with one Ba(1)O12 cuboctahedra, and edges with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the fourth Co site, Co(4) is bonded to one O(10), one O(14), one O(3), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra,  a cornercorner with one Co(7)O4 tetrahedra, and edges with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 56°. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(6)O4 tetrahedra,  an edgeedge with one Ba(2)O12 cuboctahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the sixth Co site, Co(6) is bonded to one O(12), one O(2), one O(6), and one O(7) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(5)O4 tetrahedra,  an edgeedge with one Ba(2)O12 cuboctahedra, and edges with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the seventh Co site, Co(7) is bonded to one O(10), one O(13), one O(4), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(1)O6 octahedra, corners with two equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra,  an edgeedge with one Ba(1)O12 cuboctahedra, and edges with two equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the eighth Co site, Co(8) is bonded to one O(1), one O(12), one O(13), and one O(5) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra,  a cornercorner with one Co(7)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Yb(2), one Co(5), and one Co(8) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), one Yb(1), one Co(5), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2), one Yb(1), one Co(2), and one Co(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(2), one Co(2), and one Co(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Yb(2), one Co(1), and one Co(8) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), one Yb(1), one Co(1), and one Co(6) atom. In the seventh O site, O(7) is bonded in a tetrahedral geometry to one Co(1), one Co(4), one Co(5), and one Co(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ba(2), one Yb(1), one Co(1), and one Co(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(2), one Co(3), and one Co(7) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2), one Yb(1), one Co(4), and one Co(7) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(2), one Co(2), and one Co(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Yb(2), one Co(6), and one Co(8) atom. In the thirteenth O site, O(13) is bonded in a tetrahedral geometry to one Co(2), one Co(3), one Co(7), and one Co(8) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to two equivalent Ba(2), one Yb(1), one Co(3), and one Co(4) atom. is represented by the CIF card [CIF]
data_BaYbCo4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.258
_cell_length_b   6.251
_cell_length_c   10.240
_cell_angle_alpha   90.033
_cell_angle_beta   90.004
_cell_angle_gamma   119.957
_symmetry_Int_Tables_number   1
_cell_volume   347.039
_cell_formula_units_Z   2
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  0.666  0.333  0.493  1.0
  Ba  Ba1  1  0.333  0.666  0.003  1.0
  Yb  Yb2  1  0.667  0.333  0.867  1.0
  Yb  Yb3  1  0.333  0.667  0.377  1.0
  Co  Co4  1  0.164  0.832  0.684  1.0
  Co  Co5  1  0.828  0.652  0.178  1.0
  Co  Co6  1  0.824  0.172  0.178  1.0
  Co  Co7  1  1.000  1.000  0.928  1.0
  Co  Co8  1  0.667  0.835  0.683  1.0
  Co  Co9  1  0.169  0.333  0.683  1.0
  Co  Co10  1  0.348  0.176  0.178  1.0
  Co  Co11  1  1.000  1.000  0.425  1.0
  O  O12  1  0.690  0.851  0.504  1.0
  O  O13  1  0.491  0.513  0.736  1.0
  O  O14  1  0.845  0.674  0.994  1.0
  O  O15  1  0.504  0.500  0.246  1.0
  O  O16  1  0.149  0.839  0.504  1.0
  O  O17  1  0.022  0.509  0.737  1.0
  O  O18  1  0.999  0.000  0.740  1.0
  O  O19  1  0.487  0.978  0.736  1.0
  O  O20  1  0.500  0.004  0.246  1.0
  O  O21  1  0.326  0.170  0.994  1.0
  O  O22  1  0.996  0.496  0.247  1.0
  O  O23  1  0.162  0.310  0.504  1.0
  O  O24  1  0.000  0.000  0.241  1.0
  O  O25  1  0.830  0.155  0.994  1.0
[/CIF]
.