The crystal structure 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 8-coordinate geometry to one O(15), one O(16), one O(17), one O(18), one O(28), 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 8-coordinate geometry to one Mg(1), one O(1), one O(15), one O(19), one O(23), one O(26), one O(30), and one O(7) atom. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(17), one O(20), one O(27), one O(28), and one O(30) atom. In the fifth K site, K(5) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(16), one O(19), one O(20), one O(26), and one O(5) atom. In the sixth K site, K(6) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(16), one O(23), one O(28), one O(29), and one O(9) atom. In the seventh K site, K(7) is bonded in a 8-coordinate geometry to one Mg(1), 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(14), one O(17), one O(18), one O(21), one O(25), one O(27), one O(3), and one O(7) atom. Mg(1) is bonded in a trigonal planar geometry to one K(3), one K(7), one O(17), one O(30), and one O(9) atom. 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 Co(1)O6 octahedra and  a cornercorner with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-53°. 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Mo(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-56°. In the third Mo site, Mo(3) is bonded to one O(17), one O(18), one O(22), one O(7), and one O(8) atom to form distorted MoO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Mo(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-54°. 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 Co(1)O6 octahedra and  a cornercorner with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. 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), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra and  a cornercorner with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-53°. 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 Co(1)O6 octahedra and  a cornercorner with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. 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(5)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra, and  a cornercorner with one Mo(3)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(2), one O(22), one O(23), and one O(26) 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(5)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra, and  a cornercorner with one Mo(3)O5 trigonal bipyramid. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(3), one Mo(5), one Mo(6), and one Co(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(7), and one Co(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(2), one K(8), and one Mo(5) 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 to one K(1), one K(7), one Mo(1), and one Co(1) atom to form distorted corner-sharing OK2CoMo trigonal pyramids. 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 distorted bent 120 degrees geometry to one K(6), one K(7), one Mg(1), and one Mo(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one K(5), one K(6), one Mo(2), and one Co(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mo(6), one Mo(8), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped 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 single-bond 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 K(8), and one Mo(7) atom. In the fifteenth O site, O(15) is bonded to one K(1), one K(2), one K(3), and one Mo(6) atom to form distorted corner-sharing OK3Mo tetrahedra. 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 distorted bent 120 degrees geometry to one K(1), one K(4), one K(8), one Mg(1), and one Mo(3) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one K(1), one K(8), one Mo(2), and one Mo(3) 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 3-coordinate geometry to one K(4), one K(5), and one Mo(5) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one K(7), one K(8), and one Mo(1) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar 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 4-coordinate geometry to one K(3), one K(6), one Mo(8), and one Co(2) 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 trigonal planar 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 4-coordinate 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 4-coordinate geometry to one K(2), one K(4), one K(8), and one Mo(7) atom. In the twenty-eighth O site, O(28) is bonded in a 1-coordinate geometry to one K(1), one K(4), one K(6), and one Mo(2) atom. In the twenty-ninth O site, O(29) is bonded in a 4-coordinate 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 4-coordinate geometry to one K(3), one K(4), one Mg(1), and one Mo(8) atom. is represented by the CIF card [CIF]
data_K8MgCo2(Mo4O15)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.549
_cell_length_b   10.565
_cell_length_c   8.546
_cell_angle_alpha   86.303
_cell_angle_beta   90.490
_cell_angle_gamma   121.251
_symmetry_Int_Tables_number   1
_cell_volume   812.215
_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  0.096  0.693  0.135  1.0
  K  K1  1  0.587  0.904  0.148  1.0
  K  K2  1  0.401  0.048  0.813  1.0
  K  K3  1  0.967  0.955  0.950  1.0
  K  K4  1  0.896  0.309  0.856  1.0
  K  K5  1  0.682  0.583  0.836  1.0
  K  K6  1  0.312  0.450  0.197  1.0
  K  K7  1  1.000  0.011  0.433  1.0
  Mg  Mg8  1  0.308  0.194  0.044  1.0
  Co  Co9  1  0.339  0.672  0.494  1.0
  Co  Co10  1  0.647  0.326  0.514  1.0
  Mo  Mo11  1  0.976  0.333  0.380  1.0
  Mo  Mo12  1  0.025  0.680  0.621  1.0
  Mo  Mo13  1  0.315  0.995  0.375  1.0
  Mo  Mo14  1  0.653  0.324  0.156  1.0
  Mo  Mo15  1  0.665  0.989  0.631  1.0
  Mo  Mo16  1  0.334  0.643  0.857  1.0
  Mo  Mo17  1  0.679  0.666  0.365  1.0
  Mo  Mo18  1  0.322  0.327  0.651  1.0
  O  O19  1  0.482  0.816  0.664  1.0
  O  O20  1  0.656  0.485  0.336  1.0
  O  O21  1  0.730  0.986  0.442  1.0
  O  O22  1  0.501  0.656  0.367  1.0
  O  O23  1  0.173  0.494  0.956  1.0
  O  O24  1  0.141  0.519  0.366  1.0
  O  O25  1  0.273  0.046  0.555  1.0
  O  O26  1  0.363  0.852  0.357  1.0
  O  O27  1  0.508  0.350  0.063  1.0
  O  O28  1  0.860  0.498  0.622  1.0
  O  O29  1  0.336  0.519  0.674  1.0
  O  O30  1  0.802  0.334  0.340  1.0
  O  O31  1  0.963  0.250  0.570  1.0
  O  O32  1  0.770  0.728  0.543  1.0
  O  O33  1  0.338  0.797  0.942  1.0
  O  O34  1  0.813  0.481  0.064  1.0
  O  O35  1  0.223  0.022  0.184  1.0
  O  O36  1  0.074  0.786  0.432  1.0
  O  O37  1  0.640  0.178  0.051  1.0
  O  O38  1  0.778  0.990  0.787  1.0
  O  O39  1  0.001  0.233  0.237  1.0
  O  O40  1  0.511  0.185  0.338  1.0
  O  O41  1  0.513  0.356  0.651  1.0
  O  O42  1  0.183  0.659  0.667  1.0
  O  O43  1  0.246  0.291  0.462  1.0
  O  O44  1  0.643  0.148  0.645  1.0
  O  O45  1  0.790  0.795  0.207  1.0
  O  O46  1  0.007  0.774  0.776  1.0
  O  O47  1  0.481  0.642  0.958  1.0
  O  O48  1  0.233  0.207  0.844  1.0
[/CIF]
.
The crystal structure 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 8-coordinate geometry to one O(15), one O(16), one O(17), one O(18), one O(28), 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 8-coordinate geometry to one Mg(1), one O(1), one O(15), one O(19), one O(23), one O(26), one O(30), and one O(7) atom. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(17), one O(20), one O(27), one O(28), and one O(30) atom. In the fifth K site, K(5) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(16), one O(19), one O(20), one O(26), and one O(5) atom. In the sixth K site, K(6) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(16), one O(23), one O(28), one O(29), and one O(9) atom. In the seventh K site, K(7) is bonded in a 8-coordinate geometry to one Mg(1), 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(14), one O(17), one O(18), one O(21), one O(25), one O(27), one O(3), and one O(7) atom. Mg(1) is bonded in a trigonal planar geometry to one K(3), one K(7), one O(17), one O(30), and one O(9) atom. 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 Co(1)O6 octahedra and  a cornercorner with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-53°. 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 Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Mo(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-56°. In the third Mo site, Mo(3) is bonded to one O(17), one O(18), one O(22), one O(7), and one O(8) atom to form distorted MoO5 trigonal bipyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Mo(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-54°. 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 Co(1)O6 octahedra and  a cornercorner with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-52°. 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), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra and  a cornercorner with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-53°. 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 Co(1)O6 octahedra and  a cornercorner with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. 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(5)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra, and  a cornercorner with one Mo(3)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(2), one O(22), one O(23), and one O(26) 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(5)O4 tetrahedra,  a cornercorner with one Mo(7)O4 tetrahedra,  a cornercorner with one Mo(8)O4 tetrahedra, and  a cornercorner with one Mo(3)O5 trigonal bipyramid. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(3), one Mo(5), one Mo(6), and one Co(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(7), and one Co(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(2), one K(8), and one Mo(5) 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 to one K(1), one K(7), one Mo(1), and one Co(1) atom to form distorted corner-sharing OK2CoMo trigonal pyramids. 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 distorted bent 120 degrees geometry to one K(6), one K(7), one Mg(1), and one Mo(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one K(5), one K(6), one Mo(2), and one Co(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mo(6), one Mo(8), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped 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 single-bond 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 K(8), and one Mo(7) atom. In the fifteenth O site, O(15) is bonded to one K(1), one K(2), one K(3), and one Mo(6) atom to form distorted corner-sharing OK3Mo tetrahedra. 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 distorted bent 120 degrees geometry to one K(1), one K(4), one K(8), one Mg(1), and one Mo(3) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one K(1), one K(8), one Mo(2), and one Mo(3) 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 3-coordinate geometry to one K(4), one K(5), and one Mo(5) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one K(7), one K(8), and one Mo(1) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar 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 4-coordinate geometry to one K(3), one K(6), one Mo(8), and one Co(2) 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 trigonal planar 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 4-coordinate 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 4-coordinate geometry to one K(2), one K(4), one K(8), and one Mo(7) atom. In the twenty-eighth O site, O(28) is bonded in a 1-coordinate geometry to one K(1), one K(4), one K(6), and one Mo(2) atom. In the twenty-ninth O site, O(29) is bonded in a 4-coordinate 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 4-coordinate geometry to one K(3), one K(4), one Mg(1), and one Mo(8) atom. is represented by the CIF card [CIF]
data_K8MgCo2(Mo4O15)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.549
_cell_length_b   10.565
_cell_length_c   8.546
_cell_angle_alpha   86.303
_cell_angle_beta   90.490
_cell_angle_gamma   121.251
_symmetry_Int_Tables_number   1
_cell_volume   812.215
_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  0.096  0.693  0.135  1.0
  K  K1  1  0.587  0.904  0.148  1.0
  K  K2  1  0.401  0.048  0.813  1.0
  K  K3  1  0.967  0.955  0.950  1.0
  K  K4  1  0.896  0.309  0.856  1.0
  K  K5  1  0.682  0.583  0.836  1.0
  K  K6  1  0.312  0.450  0.197  1.0
  K  K7  1  1.000  0.011  0.433  1.0
  Mg  Mg8  1  0.308  0.194  0.044  1.0
  Co  Co9  1  0.339  0.672  0.494  1.0
  Co  Co10  1  0.647  0.326  0.514  1.0
  Mo  Mo11  1  0.976  0.333  0.380  1.0
  Mo  Mo12  1  0.025  0.680  0.621  1.0
  Mo  Mo13  1  0.315  0.995  0.375  1.0
  Mo  Mo14  1  0.653  0.324  0.156  1.0
  Mo  Mo15  1  0.665  0.989  0.631  1.0
  Mo  Mo16  1  0.334  0.643  0.857  1.0
  Mo  Mo17  1  0.679  0.666  0.365  1.0
  Mo  Mo18  1  0.322  0.327  0.651  1.0
  O  O19  1  0.482  0.816  0.664  1.0
  O  O20  1  0.656  0.485  0.336  1.0
  O  O21  1  0.730  0.986  0.442  1.0
  O  O22  1  0.501  0.656  0.367  1.0
  O  O23  1  0.173  0.494  0.956  1.0
  O  O24  1  0.141  0.519  0.366  1.0
  O  O25  1  0.273  0.046  0.555  1.0
  O  O26  1  0.363  0.852  0.357  1.0
  O  O27  1  0.508  0.350  0.063  1.0
  O  O28  1  0.860  0.498  0.622  1.0
  O  O29  1  0.336  0.519  0.674  1.0
  O  O30  1  0.802  0.334  0.340  1.0
  O  O31  1  0.963  0.250  0.570  1.0
  O  O32  1  0.770  0.728  0.543  1.0
  O  O33  1  0.338  0.797  0.942  1.0
  O  O34  1  0.813  0.481  0.064  1.0
  O  O35  1  0.223  0.022  0.184  1.0
  O  O36  1  0.074  0.786  0.432  1.0
  O  O37  1  0.640  0.178  0.051  1.0
  O  O38  1  0.778  0.990  0.787  1.0
  O  O39  1  0.001  0.233  0.237  1.0
  O  O40  1  0.511  0.185  0.338  1.0
  O  O41  1  0.513  0.356  0.651  1.0
  O  O42  1  0.183  0.659  0.667  1.0
  O  O43  1  0.246  0.291  0.462  1.0
  O  O44  1  0.643  0.148  0.645  1.0
  O  O45  1  0.790  0.795  0.207  1.0
  O  O46  1  0.007  0.774  0.776  1.0
  O  O47  1  0.481  0.642  0.958  1.0
  O  O48  1  0.233  0.207  0.844  1.0
[/CIF]
.