The compound described by MgMn12(O7F5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(11), one O(12), one O(7), one F(1), and one F(5) atom to form MgO4F2 octahedra that share corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(10)O4F2 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-52°. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(5), one F(2), one F(6), and one F(7) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(7)O4F2 octahedra, corners with four equivalent Mn(11)O3F3 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. In the second Mn site, Mn(2) is bonded to one O(1), one O(11), one O(4), one F(1), one F(5), and one F(7) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(10)O4F2 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-56°. In the third Mn site, Mn(3) is bonded to one O(10), one O(3), one O(4), one O(7), one F(5), and one F(8) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(8)O3F3 octahedra, corners with four equivalent Mn(10)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-65°. In the fourth Mn site, Mn(4) is bonded to one O(14), one O(2), one O(6), one O(9), one F(10), and one F(9) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(8)O3F3 octahedra, corners with two equivalent Mn(7)O4F2 octahedra, corners with four equivalent Mn(12)O4F2 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra, and  an edgeedge with one Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the fifth Mn site, Mn(5) is bonded to one O(13), one O(2), one O(5), one O(8), one F(10), and one F(6) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(12)O4F2 octahedra, corners with four equivalent Mn(7)O4F2 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(6), one F(3), one F(4), one F(8), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(10)O4F2 octahedra, corners with two equivalent Mn(12)O4F2 octahedra, corners with four equivalent Mn(8)O3F3 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the seventh Mn site, Mn(7) is bonded to one O(13), one O(14), one O(2), one O(8), one F(2), and one F(6) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mn(11)O3F3 octahedra, and  an edgeedge with one Mn(12)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the eighth Mn site, Mn(8) is bonded to one O(10), one O(3), one O(9), one F(3), one F(4), and one F(9) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(3)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(6)O2F4 octahedra,  an edgeedge with one Mn(10)O4F2 octahedra, and  an edgeedge with one Mn(12)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the ninth Mn site, Mn(9) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(7), one F(1), and one F(5) atom. In the tenth Mn site, Mn(10) is bonded to one O(10), one O(11), one O(4), one O(7), one F(3), and one F(8) atom to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(6)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(8)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-65°. In the eleventh Mn site, Mn(11) is bonded to one O(12), one O(13), one O(5), one F(1), one F(2), and one F(7) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with four equivalent Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 38-66°. In the twelfth Mn site, Mn(12) is bonded to one O(14), one O(6), one O(8), one O(9), one F(10), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(6)O2F4 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with four equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Mn(8)O3F3 octahedra, and  an edgeedge with one Mn(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal pyramidal geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(9) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(7) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(3), one Mn(6), and one Mn(8) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(10), one Mn(2), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(11), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(4), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(10), one Mn(3), and one Mn(9) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(5), and one Mn(7) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(12), one Mn(4), and one Mn(8) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(10), one Mn(3), and one Mn(8) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(10), one Mn(2), and one Mn(9) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(11), and one Mn(9) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Mn(11), one Mn(5), and one Mn(7) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(4), and one Mn(7) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(11), one Mn(2), and one Mn(9) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(11), and one Mn(7) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(6), and one Mn(8) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(12), one Mn(6), and one Mn(8) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(9) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(5), and one Mn(7) atom. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(11), and one Mn(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(3), and one Mn(6) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(6), and one Mn(8) atom. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Mn(12), one Mn(4), and one Mn(5) atom. is represented by the CIF card [CIF]
data_MgMn12(O7F5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.818
_cell_length_b   5.734
_cell_length_c   15.315
_cell_angle_alpha   91.185
_cell_angle_beta   90.005
_cell_angle_gamma   89.889
_symmetry_Int_Tables_number   1
_cell_volume   422.935
_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  0.973  0.407  0.255  1.0
  Mn  Mn1  1  0.984  0.139  0.423  1.0
  Mn  Mn2  1  0.002  0.875  0.238  1.0
  Mn  Mn3  1  0.034  0.169  0.071  1.0
  Mn  Mn4  1  0.039  0.171  0.743  1.0
  Mn  Mn5  1  0.016  0.818  0.584  1.0
  Mn  Mn6  1  0.047  0.853  0.906  1.0
  Mn  Mn7  1  0.500  0.353  0.594  1.0
  Mn  Mn8  1  0.513  0.333  0.919  1.0
  Mn  Mn9  1  0.473  0.332  0.254  1.0
  Mn  Mn10  1  0.509  0.645  0.090  1.0
  Mn  Mn11  1  0.502  0.652  0.427  1.0
  Mn  Mn12  1  0.489  0.636  0.752  1.0
  O  O13  1  0.188  0.133  0.303  1.0
  O  O14  1  0.227  0.115  0.637  1.0
  O  O15  1  0.245  0.109  0.963  1.0
  O  O16  1  0.228  0.899  0.134  1.0
  O  O17  1  0.205  0.863  0.475  1.0
  O  O18  1  0.252  0.883  0.800  1.0
  O  O19  1  0.246  0.391  0.155  1.0
  O  O20  1  0.283  0.597  0.647  1.0
  O  O21  1  0.294  0.397  0.813  1.0
  O  O22  1  0.730  0.382  0.027  1.0
  O  O23  1  0.723  0.630  0.199  1.0
  O  O24  1  0.708  0.379  0.357  1.0
  O  O25  1  0.723  0.595  0.532  1.0
  O  O26  1  0.722  0.385  0.695  1.0
  F  F27  1  0.232  0.626  0.316  1.0
  F  F28  1  0.267  0.367  0.485  1.0
  F  F29  1  0.285  0.615  0.981  1.0
  F  F30  1  0.747  0.628  0.860  1.0
  F  F31  1  0.765  0.147  0.184  1.0
  F  F32  1  0.733  0.107  0.533  1.0
  F  F33  1  0.751  0.883  0.348  1.0
  F  F34  1  0.793  0.881  0.013  1.0
  F  F35  1  0.801  0.134  0.849  1.0
  F  F36  1  0.774  0.867  0.694  1.0
[/CIF]
.
The compound described by MgMn12(O7F5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(11), one O(12), one O(7), one F(1), and one F(5) atom to form MgO4F2 octahedra that share corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(10)O4F2 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-52°. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(5), one F(2), one F(6), and one F(7) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(7)O4F2 octahedra, corners with four equivalent Mn(11)O3F3 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. In the second Mn site, Mn(2) is bonded to one O(1), one O(11), one O(4), one F(1), one F(5), and one F(7) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(10)O4F2 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 40-56°. In the third Mn site, Mn(3) is bonded to one O(10), one O(3), one O(4), one O(7), one F(5), and one F(8) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(8)O3F3 octahedra, corners with four equivalent Mn(10)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-65°. In the fourth Mn site, Mn(4) is bonded to one O(14), one O(2), one O(6), one O(9), one F(10), and one F(9) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(8)O3F3 octahedra, corners with two equivalent Mn(7)O4F2 octahedra, corners with four equivalent Mn(12)O4F2 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra, and  an edgeedge with one Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the fifth Mn site, Mn(5) is bonded to one O(13), one O(2), one O(5), one O(8), one F(10), and one F(6) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(11)O3F3 octahedra, corners with two equivalent Mn(12)O4F2 octahedra, corners with four equivalent Mn(7)O4F2 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(6), one F(3), one F(4), one F(8), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(10)O4F2 octahedra, corners with two equivalent Mn(12)O4F2 octahedra, corners with four equivalent Mn(8)O3F3 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the seventh Mn site, Mn(7) is bonded to one O(13), one O(14), one O(2), one O(8), one F(2), and one F(6) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mn(11)O3F3 octahedra, and  an edgeedge with one Mn(12)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the eighth Mn site, Mn(8) is bonded to one O(10), one O(3), one O(9), one F(3), one F(4), and one F(9) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(3)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(6)O2F4 octahedra,  an edgeedge with one Mn(10)O4F2 octahedra, and  an edgeedge with one Mn(12)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the ninth Mn site, Mn(9) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(7), one F(1), and one F(5) atom. In the tenth Mn site, Mn(10) is bonded to one O(10), one O(11), one O(4), one O(7), one F(3), and one F(8) atom to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(6)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(8)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-65°. In the eleventh Mn site, Mn(11) is bonded to one O(12), one O(13), one O(5), one F(1), one F(2), and one F(7) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with four equivalent Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 38-66°. In the twelfth Mn site, Mn(12) is bonded to one O(14), one O(6), one O(8), one O(9), one F(10), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(6)O2F4 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with four equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Mn(8)O3F3 octahedra, and  an edgeedge with one Mn(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal pyramidal geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(9) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(7) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(3), one Mn(6), and one Mn(8) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(10), one Mn(2), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(11), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(4), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(10), one Mn(3), and one Mn(9) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(5), and one Mn(7) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(12), one Mn(4), and one Mn(8) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(10), one Mn(3), and one Mn(8) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(10), one Mn(2), and one Mn(9) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(11), and one Mn(9) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Mn(11), one Mn(5), and one Mn(7) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(4), and one Mn(7) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(11), one Mn(2), and one Mn(9) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(11), and one Mn(7) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(6), and one Mn(8) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(12), one Mn(6), and one Mn(8) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(9) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(5), and one Mn(7) atom. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(11), and one Mn(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(3), and one Mn(6) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(6), and one Mn(8) atom. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Mn(12), one Mn(4), and one Mn(5) atom. is represented by the CIF card [CIF]
data_MgMn12(O7F5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.818
_cell_length_b   5.734
_cell_length_c   15.315
_cell_angle_alpha   91.185
_cell_angle_beta   90.005
_cell_angle_gamma   89.889
_symmetry_Int_Tables_number   1
_cell_volume   422.935
_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  0.973  0.407  0.255  1.0
  Mn  Mn1  1  0.984  0.139  0.423  1.0
  Mn  Mn2  1  0.002  0.875  0.238  1.0
  Mn  Mn3  1  0.034  0.169  0.071  1.0
  Mn  Mn4  1  0.039  0.171  0.743  1.0
  Mn  Mn5  1  0.016  0.818  0.584  1.0
  Mn  Mn6  1  0.047  0.853  0.906  1.0
  Mn  Mn7  1  0.500  0.353  0.594  1.0
  Mn  Mn8  1  0.513  0.333  0.919  1.0
  Mn  Mn9  1  0.473  0.332  0.254  1.0
  Mn  Mn10  1  0.509  0.645  0.090  1.0
  Mn  Mn11  1  0.502  0.652  0.427  1.0
  Mn  Mn12  1  0.489  0.636  0.752  1.0
  O  O13  1  0.188  0.133  0.303  1.0
  O  O14  1  0.227  0.115  0.637  1.0
  O  O15  1  0.245  0.109  0.963  1.0
  O  O16  1  0.228  0.899  0.134  1.0
  O  O17  1  0.205  0.863  0.475  1.0
  O  O18  1  0.252  0.883  0.800  1.0
  O  O19  1  0.246  0.391  0.155  1.0
  O  O20  1  0.283  0.597  0.647  1.0
  O  O21  1  0.294  0.397  0.813  1.0
  O  O22  1  0.730  0.382  0.027  1.0
  O  O23  1  0.723  0.630  0.199  1.0
  O  O24  1  0.708  0.379  0.357  1.0
  O  O25  1  0.723  0.595  0.532  1.0
  O  O26  1  0.722  0.385  0.695  1.0
  F  F27  1  0.232  0.626  0.316  1.0
  F  F28  1  0.267  0.367  0.485  1.0
  F  F29  1  0.285  0.615  0.981  1.0
  F  F30  1  0.747  0.628  0.860  1.0
  F  F31  1  0.765  0.147  0.184  1.0
  F  F32  1  0.733  0.107  0.533  1.0
  F  F33  1  0.751  0.883  0.348  1.0
  F  F34  1  0.793  0.881  0.013  1.0
  F  F35  1  0.801  0.134  0.849  1.0
  F  F36  1  0.774  0.867  0.694  1.0
[/CIF]
.