The compound described by K8MgCo2(Mo4O15)2 crystallizes in the triclinic P1 space group. There are eight inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(15), one O(16), one O(17), one O(18), one O(5), one O(6), and one O(8) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(15), one O(19), one O(27), one O(29), one O(3), one O(4), and one O(8) atom. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(15), one O(19), one O(23), one O(26), one O(30), one O(7), and one O(9) atom. In the fourth K site, K(4) is bonded to one O(17), one O(20), one O(21), one O(27), one O(28), and one O(30) atom to form KO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra, and  a cornercorner with one Mo(7)O5 trigonal bipyramid. In the fifth K site, K(5) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(16), one O(19), one O(26), and one O(5) atom. In the sixth K site, K(6) is bonded in a 9-coordinate geometry to one O(10), one O(14), one O(16), one O(20), one O(23), one O(27), one O(28), one O(29), and one O(9) atom. In the seventh K site, K(7) is bonded in a 7-coordinate geometry to one O(21), one O(25), one O(29), one O(4), one O(5), one O(6), and one O(9) atom. In the eighth K site, K(8) is bonded in a 9-coordinate geometry to one O(13), one O(17), one O(18), one O(20), one O(25), one O(28), one O(3), one O(30), and one O(7) atom. Mg(1) is bonded to one O(10), one O(14), one O(2), and one O(23) atom to form distorted MgO4 trigonal pyramids that share  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra, and  an edgeedge with one Mo(7)O5 trigonal bipyramid. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(12), one O(13), one O(21), and one O(6) atom to form MoO4 tetrahedra that share  a cornercorner with one K(4)O6 octahedra and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-34°. In the second Mo site, Mo(2) is bonded to one O(10), one O(18), one O(24), and one O(28) atom to form MoO4 tetrahedra that share  a cornercorner with one K(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, and  a cornercorner with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 5-51°. In the third Mo site, Mo(3) is bonded to one O(17), one O(22), one O(7), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one K(4)O6 octahedra and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-36°. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one O(12), one O(16), one O(19), one O(2), one O(22), and one O(9) atom. In the fifth Mo site, Mo(5) is bonded to one O(1), one O(20), one O(26), and one O(3) atom to form MoO4 tetrahedra that share  a cornercorner with one K(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, and  a cornercorner with one Mo(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 11-55°. In the sixth Mo site, Mo(6) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(15), one O(24), one O(29), and one O(5) atom. In the seventh Mo site, Mo(7) is bonded to one O(14), one O(2), one O(27), one O(3), and one O(4) atom to form distorted MoO5 trigonal bipyramids that share  a cornercorner with one K(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Mo(5)O4 tetrahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 21-40°. In the eighth Mo site, Mo(8) is bonded to one O(11), one O(23), one O(25), and one O(30) atom to form MoO4 tetrahedra that share  a cornercorner with one K(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, and  a cornercorner with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 3-53°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(24), one O(4), one O(6), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra, and  a cornercorner with one Mo(7)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded in a 3-coordinate geometry to one O(12), one O(22), and one O(26) atom. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mo(5), one Mo(6), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(4), and one Mo(7) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(2), one K(8), one Mo(5), and one Mo(7) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(2), one K(7), one Mo(7), and one Co(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one K(1), one K(5), one K(7), and one Mo(6) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(1), one K(7), one Mo(1), and one Co(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(3), one K(8), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Mo(3), and one Co(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one K(3), one K(6), one K(7), and one Mo(4) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one K(5), one K(6), one Mg(1), and one Mo(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mo(6), one Mo(8), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(4), and one Co(2) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one K(5), one K(8), and one Mo(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(6), one Mg(1), and one Mo(7) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), and one Mo(6) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one K(1), one K(5), one K(6), and one Mo(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one K(1), one K(4), one K(8), and one Mo(3) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one K(1), one K(8), and one Mo(2) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one K(2), one K(3), one K(5), and one Mo(4) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one K(4), one K(6), one K(8), and one Mo(5) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one K(4), one K(7), and one Mo(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Mo(3), one Mo(4), and one Co(2) atom. In the twenty-third O site, O(23) is bonded in a 2-coordinate geometry to one K(3), one K(6), one Mg(1), and one Mo(8) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(6), and one Co(1) atom. In the twenty-fifth O site, O(25) is bonded in a distorted single-bond geometry to one K(7), one K(8), and one Mo(8) atom. In the twenty-sixth O site, O(26) is bonded in a distorted tetrahedral geometry to one K(3), one K(5), one Mo(5), and one Co(2) atom. In the twenty-seventh O site, O(27) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one K(4), one K(6), and one Mo(7) atom. In the twenty-eighth O site, O(28) is bonded in a 1-coordinate geometry to one K(4), one K(6), one K(8), and one Mo(2) atom. In the twenty-ninth O site, O(29) is bonded in a distorted tetrahedral geometry to one K(2), one K(6), one K(7), and one Mo(6) atom. In the thirtieth O site, O(30) is bonded in a 1-coordinate geometry to one K(3), one K(4), one K(8), and one Mo(8) atom. is represented by the CIF file [CIF]
data_K8MgCo2(Mo4O15)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.615
_cell_length_b   10.538
_cell_length_c   8.483
_cell_angle_alpha   91.577
_cell_angle_beta   88.828
_cell_angle_gamma   119.335
_symmetry_Int_Tables_number   1
_cell_volume   826.934
_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
  K  K0  1  0.087  0.697  0.154  1.0
  K  K1  1  0.589  0.919  0.137  1.0
  K  K2  1  0.417  0.107  0.853  1.0
  K  K3  1  0.015  0.015  0.013  1.0
  K  K4  1  0.900  0.316  0.855  1.0
  K  K5  1  0.708  0.647  0.888  1.0
  K  K6  1  0.316  0.415  0.158  1.0
  K  K7  1  0.018  0.012  0.508  1.0
  Mg  Mg8  1  0.693  0.475  0.544  1.0
  Co  Co9  1  0.333  0.665  0.478  1.0
  Co  Co10  1  0.655  0.196  0.477  1.0
  Mo  Mo11  1  0.983  0.332  0.365  1.0
  Mo  Mo12  1  0.031  0.695  0.645  1.0
  Mo  Mo13  1  0.340  0.015  0.367  1.0
  Mo  Mo14  1  0.665  0.361  0.139  1.0
  Mo  Mo15  1  0.664  0.948  0.641  1.0
  Mo  Mo16  1  0.322  0.666  0.861  1.0
  Mo  Mo17  1  0.675  0.695  0.356  1.0
  Mo  Mo18  1  0.325  0.348  0.643  1.0
  O  O19  1  0.482  0.800  0.669  1.0
  O  O20  1  0.656  0.492  0.320  1.0
  O  O21  1  0.721  0.919  0.445  1.0
  O  O22  1  0.478  0.647  0.349  1.0
  O  O23  1  0.165  0.527  0.953  1.0
  O  O24  1  0.141  0.511  0.359  1.0
  O  O25  1  0.289  0.031  0.563  1.0
  O  O26  1  0.355  0.851  0.350  1.0
  O  O27  1  0.521  0.359  0.034  1.0
  O  O28  1  0.871  0.515  0.662  1.0
  O  O29  1  0.320  0.521  0.667  1.0
  O  O30  1  0.813  0.342  0.340  1.0
  O  O31  1  0.967  0.248  0.548  1.0
  O  O32  1  0.727  0.680  0.563  1.0
  O  O33  1  0.337  0.829  0.947  1.0
  O  O34  1  0.822  0.500  0.047  1.0
  O  O35  1  0.208  0.000  0.229  1.0
  O  O36  1  0.030  0.761  0.457  1.0
  O  O37  1  0.666  0.201  0.056  1.0
  O  O38  1  0.780  0.955  0.792  1.0
  O  O39  1  0.999  0.223  0.210  1.0
  O  O40  1  0.514  0.182  0.320  1.0
  O  O41  1  0.507  0.375  0.665  1.0
  O  O42  1  0.197  0.681  0.662  1.0
  O  O43  1  0.260  0.281  0.452  1.0
  O  O44  1  0.650  0.114  0.671  1.0
  O  O45  1  0.786  0.788  0.189  1.0
  O  O46  1  0.022  0.810  0.796  1.0
  O  O47  1  0.464  0.655  0.955  1.0
  O  O48  1  0.212  0.224  0.789  1.0
[/CIF]
.
The compound described by K8MgCo2(Mo4O15)2 crystallizes in the triclinic P1 space group. There are eight inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(15), one O(16), one O(17), one O(18), one O(5), one O(6), and one O(8) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(15), one O(19), one O(27), one O(29), one O(3), one O(4), and one O(8) atom. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(15), one O(19), one O(23), one O(26), one O(30), one O(7), and one O(9) atom. In the fourth K site, K(4) is bonded to one O(17), one O(20), one O(21), one O(27), one O(28), and one O(30) atom to form KO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra, and  a cornercorner with one Mo(7)O5 trigonal bipyramid. In the fifth K site, K(5) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(16), one O(19), one O(26), and one O(5) atom. In the sixth K site, K(6) is bonded in a 9-coordinate geometry to one O(10), one O(14), one O(16), one O(20), one O(23), one O(27), one O(28), one O(29), and one O(9) atom. In the seventh K site, K(7) is bonded in a 7-coordinate geometry to one O(21), one O(25), one O(29), one O(4), one O(5), one O(6), and one O(9) atom. In the eighth K site, K(8) is bonded in a 9-coordinate geometry to one O(13), one O(17), one O(18), one O(20), one O(25), one O(28), one O(3), one O(30), and one O(7) atom. Mg(1) is bonded to one O(10), one O(14), one O(2), and one O(23) atom to form distorted MgO4 trigonal pyramids that share  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra, and  an edgeedge with one Mo(7)O5 trigonal bipyramid. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(12), one O(13), one O(21), and one O(6) atom to form MoO4 tetrahedra that share  a cornercorner with one K(4)O6 octahedra and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-34°. In the second Mo site, Mo(2) is bonded to one O(10), one O(18), one O(24), and one O(28) atom to form MoO4 tetrahedra that share  a cornercorner with one K(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, and  a cornercorner with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 5-51°. In the third Mo site, Mo(3) is bonded to one O(17), one O(22), one O(7), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one K(4)O6 octahedra and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-36°. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one O(12), one O(16), one O(19), one O(2), one O(22), and one O(9) atom. In the fifth Mo site, Mo(5) is bonded to one O(1), one O(20), one O(26), and one O(3) atom to form MoO4 tetrahedra that share  a cornercorner with one K(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, and  a cornercorner with one Mo(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 11-55°. In the sixth Mo site, Mo(6) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(15), one O(24), one O(29), and one O(5) atom. In the seventh Mo site, Mo(7) is bonded to one O(14), one O(2), one O(27), one O(3), and one O(4) atom to form distorted MoO5 trigonal bipyramids that share  a cornercorner with one K(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Mo(5)O4 tetrahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 21-40°. In the eighth Mo site, Mo(8) is bonded to one O(11), one O(23), one O(25), and one O(30) atom to form MoO4 tetrahedra that share  a cornercorner with one K(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, and  a cornercorner with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 3-53°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(24), one O(4), one O(6), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra, and  a cornercorner with one Mo(7)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded in a 3-coordinate geometry to one O(12), one O(22), and one O(26) atom. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mo(5), one Mo(6), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(4), and one Mo(7) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(2), one K(8), one Mo(5), and one Mo(7) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(2), one K(7), one Mo(7), and one Co(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one K(1), one K(5), one K(7), and one Mo(6) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(1), one K(7), one Mo(1), and one Co(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(3), one K(8), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Mo(3), and one Co(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one K(3), one K(6), one K(7), and one Mo(4) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one K(5), one K(6), one Mg(1), and one Mo(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mo(6), one Mo(8), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(4), and one Co(2) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one K(5), one K(8), and one Mo(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(6), one Mg(1), and one Mo(7) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), and one Mo(6) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one K(1), one K(5), one K(6), and one Mo(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one K(1), one K(4), one K(8), and one Mo(3) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one K(1), one K(8), and one Mo(2) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one K(2), one K(3), one K(5), and one Mo(4) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one K(4), one K(6), one K(8), and one Mo(5) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one K(4), one K(7), and one Mo(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Mo(3), one Mo(4), and one Co(2) atom. In the twenty-third O site, O(23) is bonded in a 2-coordinate geometry to one K(3), one K(6), one Mg(1), and one Mo(8) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(6), and one Co(1) atom. In the twenty-fifth O site, O(25) is bonded in a distorted single-bond geometry to one K(7), one K(8), and one Mo(8) atom. In the twenty-sixth O site, O(26) is bonded in a distorted tetrahedral geometry to one K(3), one K(5), one Mo(5), and one Co(2) atom. In the twenty-seventh O site, O(27) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one K(4), one K(6), and one Mo(7) atom. In the twenty-eighth O site, O(28) is bonded in a 1-coordinate geometry to one K(4), one K(6), one K(8), and one Mo(2) atom. In the twenty-ninth O site, O(29) is bonded in a distorted tetrahedral geometry to one K(2), one K(6), one K(7), and one Mo(6) atom. In the thirtieth O site, O(30) is bonded in a 1-coordinate geometry to one K(3), one K(4), one K(8), and one Mo(8) atom. is represented by the CIF file [CIF]
data_K8MgCo2(Mo4O15)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.615
_cell_length_b   10.538
_cell_length_c   8.483
_cell_angle_alpha   91.577
_cell_angle_beta   88.828
_cell_angle_gamma   119.335
_symmetry_Int_Tables_number   1
_cell_volume   826.934
_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
  K  K0  1  0.087  0.697  0.154  1.0
  K  K1  1  0.589  0.919  0.137  1.0
  K  K2  1  0.417  0.107  0.853  1.0
  K  K3  1  0.015  0.015  0.013  1.0
  K  K4  1  0.900  0.316  0.855  1.0
  K  K5  1  0.708  0.647  0.888  1.0
  K  K6  1  0.316  0.415  0.158  1.0
  K  K7  1  0.018  0.012  0.508  1.0
  Mg  Mg8  1  0.693  0.475  0.544  1.0
  Co  Co9  1  0.333  0.665  0.478  1.0
  Co  Co10  1  0.655  0.196  0.477  1.0
  Mo  Mo11  1  0.983  0.332  0.365  1.0
  Mo  Mo12  1  0.031  0.695  0.645  1.0
  Mo  Mo13  1  0.340  0.015  0.367  1.0
  Mo  Mo14  1  0.665  0.361  0.139  1.0
  Mo  Mo15  1  0.664  0.948  0.641  1.0
  Mo  Mo16  1  0.322  0.666  0.861  1.0
  Mo  Mo17  1  0.675  0.695  0.356  1.0
  Mo  Mo18  1  0.325  0.348  0.643  1.0
  O  O19  1  0.482  0.800  0.669  1.0
  O  O20  1  0.656  0.492  0.320  1.0
  O  O21  1  0.721  0.919  0.445  1.0
  O  O22  1  0.478  0.647  0.349  1.0
  O  O23  1  0.165  0.527  0.953  1.0
  O  O24  1  0.141  0.511  0.359  1.0
  O  O25  1  0.289  0.031  0.563  1.0
  O  O26  1  0.355  0.851  0.350  1.0
  O  O27  1  0.521  0.359  0.034  1.0
  O  O28  1  0.871  0.515  0.662  1.0
  O  O29  1  0.320  0.521  0.667  1.0
  O  O30  1  0.813  0.342  0.340  1.0
  O  O31  1  0.967  0.248  0.548  1.0
  O  O32  1  0.727  0.680  0.563  1.0
  O  O33  1  0.337  0.829  0.947  1.0
  O  O34  1  0.822  0.500  0.047  1.0
  O  O35  1  0.208  0.000  0.229  1.0
  O  O36  1  0.030  0.761  0.457  1.0
  O  O37  1  0.666  0.201  0.056  1.0
  O  O38  1  0.780  0.955  0.792  1.0
  O  O39  1  0.999  0.223  0.210  1.0
  O  O40  1  0.514  0.182  0.320  1.0
  O  O41  1  0.507  0.375  0.665  1.0
  O  O42  1  0.197  0.681  0.662  1.0
  O  O43  1  0.260  0.281  0.452  1.0
  O  O44  1  0.650  0.114  0.671  1.0
  O  O45  1  0.786  0.788  0.189  1.0
  O  O46  1  0.022  0.810  0.796  1.0
  O  O47  1  0.464  0.655  0.955  1.0
  O  O48  1  0.212  0.224  0.789  1.0
[/CIF]
.