The material structure described by NaLi5Mn2P2(CO7)2 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(10), one O(24), one O(26), one O(9), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(14), one O(3), one O(5), and two equivalent O(7) atoms. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(23), one O(25), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(13), and one O(8) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(2), one O(6), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(14), one O(2), and one O(5) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(15), one O(17), one O(19), one O(23), and one O(28) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(24), one O(26), and one O(28) atom. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(16), one O(18), one O(21), one O(24), one O(26), and one O(27) atom. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(15), one O(18), one O(22), one O(23), and one O(27) atom. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(21), one O(22), one O(27), one O(3), and one O(5) atom. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(19), one O(20), one O(28), one O(4), and one O(6) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(13), one O(17), one O(4), one O(6), one O(8), and one O(9) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(18), one O(3), one O(5), and one O(7) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(19), one O(22), one O(23), and one O(25) atom. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(12), one O(16), one O(20), one O(21), one O(24), and one O(26) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(28), one O(4), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(27), one O(3), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(26) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(1), one O(23), and one O(25) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(10), one O(12), one O(16), and one O(9) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(11), one O(15), one O(7), and one O(8) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(13), one O(17), one O(19), and one O(20) atom. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(14), one O(18), one O(21), and one O(22) atom. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), one Li(1), one Li(2), and one C(4) atom to form distorted ONaLi2C tetrahedra that share corners with two equivalent O(8)Li2MnP trigonal pyramids and  an edgeedge with one O(11)NaLiMnP tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Li(3), one Li(4), and one C(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(2), one Li(9), one Mn(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(10), one Mn(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(2), one Li(4), one Li(9), one Mn(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Li(10), one Li(3), one Mn(1), and one C(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Na(2), one Li(1), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Mn(1), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(17)Li2MnP tetrahedra, corners with two equivalent O(1)NaLi2C tetrahedra, and corners with two equivalent O(11)NaLiMnP tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Li(3), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded to one Na(1), one Li(4), one Mn(2), and one P(1) atom to form distorted corner-sharing ONaLiMnP trigonal pyramids. In the eleventh O site, O(11) is bonded to one Na(2), one Li(2), one Mn(3), and one P(2) atom to form distorted ONaLiMnP tetrahedra that share  a cornercorner with one O(19)Li2MnP trigonal pyramid, corners with two equivalent O(8)Li2MnP trigonal pyramids, and  an edgeedge with one O(1)NaLi2C tetrahedra. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Mn(4), and one P(1) atom to form OLi2MnP tetrahedra that share  a cornercorner with one O(21)Li2MnP trigonal pyramid and corners with two equivalent O(10)NaLiMnP trigonal pyramids. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(2), one Li(4), one Mn(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), one Mn(3), and one P(2) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(6), one Li(7), one Mn(4), and one P(1) atom. In the seventeenth O site, O(17) is bonded to one Li(5), one Li(6), one Mn(1), and one P(3) atom to form OLi2MnP tetrahedra that share  a cornercorner with one O(8)Li2MnP trigonal pyramid, corners with two equivalent O(19)Li2MnP trigonal pyramids, and  an edgeedge with one O(28)Li3C tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(7), one Li(8), one Mn(2), and one P(4) atom to form OLi2MnP tetrahedra that share  a cornercorner with one O(10)NaLiMnP trigonal pyramid, corners with two equivalent O(21)Li2MnP trigonal pyramids, and  an edgeedge with one O(27)Li3C tetrahedra. In the nineteenth O site, O(19) is bonded to one Li(10), one Li(5), one Mn(3), and one P(3) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(11)NaLiMnP tetrahedra, corners with two equivalent O(17)Li2MnP tetrahedra, and corners with two equivalent O(28)Li3C tetrahedra. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(10), one Li(6), one Mn(4), and one P(3) atom. In the twenty-first O site, O(21) is bonded to one Li(7), one Li(9), one Mn(4), and one P(4) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(12)Li2MnP tetrahedra, corners with two equivalent O(18)Li2MnP tetrahedra, and corners with two equivalent O(27)Li3C tetrahedra. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(8), one Li(9), one Mn(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Li(1), one Li(5), one Li(8), one Mn(3), and one C(4) atom. In the twenty-fourth O site, O(24) is bonded in a distorted single-bond geometry to one Na(1), one Li(6), one Li(7), one Mn(4), and one C(3) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Mn(3), and one C(4) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Na(1), one Li(6), one Li(7), one Mn(4), and one C(3) atom. In the twenty-seventh O site, O(27) is bonded to one Li(7), one Li(8), one Li(9), and one C(2) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. In the twenty-eighth O site, O(28) is bonded to one Li(10), one Li(5), one Li(6), and one C(1) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. is represented by the CIF file [CIF]
data_NaLi5Mn2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.012
_cell_length_b   8.655
_cell_length_c   13.307
_cell_angle_alpha   90.668
_cell_angle_beta   90.081
_cell_angle_gamma   92.208
_symmetry_Int_Tables_number   1
_cell_volume   576.740
_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
  Na  Na0  1  0.752  0.912  0.377  1.0
  Na  Na1  1  0.253  0.753  0.999  1.0
  Li  Li2  1  0.746  0.916  0.864  1.0
  Li  Li3  1  0.229  0.730  0.762  1.0
  Li  Li4  1  0.224  0.733  0.489  1.0
  Li  Li5  1  0.223  0.728  0.268  1.0
  Li  Li6  1  0.771  0.268  0.735  1.0
  Li  Li7  1  0.775  0.264  0.512  1.0
  Li  Li8  1  0.773  0.264  0.240  1.0
  Li  Li9  1  0.771  0.266  0.013  1.0
  Li  Li10  1  0.258  0.090  0.132  1.0
  Li  Li11  1  0.258  0.085  0.627  1.0
  Mn  Mn12  1  0.774  0.646  0.627  1.0
  Mn  Mn13  1  0.773  0.643  0.126  1.0
  Mn  Mn14  1  0.223  0.353  0.875  1.0
  Mn  Mn15  1  0.229  0.351  0.375  1.0
  P  P16  1  0.712  0.583  0.376  1.0
  P  P17  1  0.707  0.591  0.873  1.0
  P  P18  1  0.287  0.409  0.626  1.0
  P  P19  1  0.287  0.407  0.126  1.0
  C  C20  1  0.727  0.960  0.623  1.0
  C  C21  1  0.731  0.961  0.128  1.0
  C  C22  1  0.266  0.047  0.376  1.0
  C  C23  1  0.279  0.043  0.868  1.0
  O  O24  1  0.347  0.900  0.859  1.0
  O  O25  1  0.278  0.896  0.376  1.0
  O  O26  1  0.978  0.921  0.126  1.0
  O  O27  1  0.975  0.921  0.622  1.0
  O  O28  1  0.539  0.856  0.133  1.0
  O  O29  1  0.536  0.854  0.620  1.0
  O  O30  1  0.783  0.686  0.969  1.0
  O  O31  1  0.828  0.689  0.785  1.0
  O  O32  1  0.825  0.674  0.469  1.0
  O  O33  1  0.819  0.676  0.284  1.0
  O  O34  1  0.397  0.579  0.862  1.0
  O  O35  1  0.399  0.584  0.376  1.0
  O  O36  1  0.196  0.579  0.627  1.0
  O  O37  1  0.192  0.575  0.133  1.0
  O  O38  1  0.808  0.424  0.875  1.0
  O  O39  1  0.796  0.413  0.373  1.0
  O  O40  1  0.601  0.416  0.627  1.0
  O  O41  1  0.599  0.414  0.124  1.0
  O  O42  1  0.178  0.312  0.716  1.0
  O  O43  1  0.183  0.316  0.533  1.0
  O  O44  1  0.188  0.307  0.217  1.0
  O  O45  1  0.174  0.317  0.033  1.0
  O  O46  1  0.468  0.151  0.875  1.0
  O  O47  1  0.482  0.134  0.376  1.0
  O  O48  1  0.031  0.079  0.872  1.0
  O  O49  1  0.037  0.111  0.375  1.0
  O  O50  1  0.669  0.106  0.125  1.0
  O  O51  1  0.664  0.105  0.625  1.0
[/CIF]
.
The material structure described by NaLi5Mn2P2(CO7)2 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(10), one O(24), one O(26), one O(9), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(14), one O(3), one O(5), and two equivalent O(7) atoms. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(23), one O(25), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(13), and one O(8) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(2), one O(6), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(14), one O(2), and one O(5) atom. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(15), one O(17), one O(19), one O(23), and one O(28) atom. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(16), one O(17), one O(20), one O(24), one O(26), and one O(28) atom. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(16), one O(18), one O(21), one O(24), one O(26), and one O(27) atom. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(15), one O(18), one O(22), one O(23), and one O(27) atom. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(21), one O(22), one O(27), one O(3), and one O(5) atom. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(19), one O(20), one O(28), one O(4), and one O(6) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(13), one O(17), one O(4), one O(6), one O(8), and one O(9) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(18), one O(3), one O(5), and one O(7) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(11), one O(15), one O(19), one O(22), one O(23), and one O(25) atom. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(12), one O(16), one O(20), one O(21), one O(24), and one O(26) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(28), one O(4), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(27), one O(3), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(26) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(1), one O(23), and one O(25) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(10), one O(12), one O(16), and one O(9) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(11), one O(15), one O(7), and one O(8) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(13), one O(17), one O(19), and one O(20) atom. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(14), one O(18), one O(21), and one O(22) atom. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), one Li(1), one Li(2), and one C(4) atom to form distorted ONaLi2C tetrahedra that share corners with two equivalent O(8)Li2MnP trigonal pyramids and  an edgeedge with one O(11)NaLiMnP tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Li(3), one Li(4), and one C(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(2), one Li(9), one Mn(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Li(10), one Mn(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(2), one Li(4), one Li(9), one Mn(2), and one C(2) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Li(10), one Li(3), one Mn(1), and one C(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Na(2), one Li(1), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Mn(1), and one P(2) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(17)Li2MnP tetrahedra, corners with two equivalent O(1)NaLi2C tetrahedra, and corners with two equivalent O(11)NaLiMnP tetrahedra. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Li(3), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded to one Na(1), one Li(4), one Mn(2), and one P(1) atom to form distorted corner-sharing ONaLiMnP trigonal pyramids. In the eleventh O site, O(11) is bonded to one Na(2), one Li(2), one Mn(3), and one P(2) atom to form distorted ONaLiMnP tetrahedra that share  a cornercorner with one O(19)Li2MnP trigonal pyramid, corners with two equivalent O(8)Li2MnP trigonal pyramids, and  an edgeedge with one O(1)NaLi2C tetrahedra. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Mn(4), and one P(1) atom to form OLi2MnP tetrahedra that share  a cornercorner with one O(21)Li2MnP trigonal pyramid and corners with two equivalent O(10)NaLiMnP trigonal pyramids. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Mn(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(2), one Li(4), one Mn(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), one Mn(3), and one P(2) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(6), one Li(7), one Mn(4), and one P(1) atom. In the seventeenth O site, O(17) is bonded to one Li(5), one Li(6), one Mn(1), and one P(3) atom to form OLi2MnP tetrahedra that share  a cornercorner with one O(8)Li2MnP trigonal pyramid, corners with two equivalent O(19)Li2MnP trigonal pyramids, and  an edgeedge with one O(28)Li3C tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(7), one Li(8), one Mn(2), and one P(4) atom to form OLi2MnP tetrahedra that share  a cornercorner with one O(10)NaLiMnP trigonal pyramid, corners with two equivalent O(21)Li2MnP trigonal pyramids, and  an edgeedge with one O(27)Li3C tetrahedra. In the nineteenth O site, O(19) is bonded to one Li(10), one Li(5), one Mn(3), and one P(3) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(11)NaLiMnP tetrahedra, corners with two equivalent O(17)Li2MnP tetrahedra, and corners with two equivalent O(28)Li3C tetrahedra. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(10), one Li(6), one Mn(4), and one P(3) atom. In the twenty-first O site, O(21) is bonded to one Li(7), one Li(9), one Mn(4), and one P(4) atom to form distorted OLi2MnP trigonal pyramids that share  a cornercorner with one O(12)Li2MnP tetrahedra, corners with two equivalent O(18)Li2MnP tetrahedra, and corners with two equivalent O(27)Li3C tetrahedra. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(8), one Li(9), one Mn(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Li(1), one Li(5), one Li(8), one Mn(3), and one C(4) atom. In the twenty-fourth O site, O(24) is bonded in a distorted single-bond geometry to one Na(1), one Li(6), one Li(7), one Mn(4), and one C(3) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Mn(3), and one C(4) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Na(1), one Li(6), one Li(7), one Mn(4), and one C(3) atom. In the twenty-seventh O site, O(27) is bonded to one Li(7), one Li(8), one Li(9), and one C(2) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. In the twenty-eighth O site, O(28) is bonded to one Li(10), one Li(5), one Li(6), and one C(1) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. is represented by the CIF file [CIF]
data_NaLi5Mn2P2(CO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.012
_cell_length_b   8.655
_cell_length_c   13.307
_cell_angle_alpha   90.668
_cell_angle_beta   90.081
_cell_angle_gamma   92.208
_symmetry_Int_Tables_number   1
_cell_volume   576.740
_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
  Na  Na0  1  0.752  0.912  0.377  1.0
  Na  Na1  1  0.253  0.753  0.999  1.0
  Li  Li2  1  0.746  0.916  0.864  1.0
  Li  Li3  1  0.229  0.730  0.762  1.0
  Li  Li4  1  0.224  0.733  0.489  1.0
  Li  Li5  1  0.223  0.728  0.268  1.0
  Li  Li6  1  0.771  0.268  0.735  1.0
  Li  Li7  1  0.775  0.264  0.512  1.0
  Li  Li8  1  0.773  0.264  0.240  1.0
  Li  Li9  1  0.771  0.266  0.013  1.0
  Li  Li10  1  0.258  0.090  0.132  1.0
  Li  Li11  1  0.258  0.085  0.627  1.0
  Mn  Mn12  1  0.774  0.646  0.627  1.0
  Mn  Mn13  1  0.773  0.643  0.126  1.0
  Mn  Mn14  1  0.223  0.353  0.875  1.0
  Mn  Mn15  1  0.229  0.351  0.375  1.0
  P  P16  1  0.712  0.583  0.376  1.0
  P  P17  1  0.707  0.591  0.873  1.0
  P  P18  1  0.287  0.409  0.626  1.0
  P  P19  1  0.287  0.407  0.126  1.0
  C  C20  1  0.727  0.960  0.623  1.0
  C  C21  1  0.731  0.961  0.128  1.0
  C  C22  1  0.266  0.047  0.376  1.0
  C  C23  1  0.279  0.043  0.868  1.0
  O  O24  1  0.347  0.900  0.859  1.0
  O  O25  1  0.278  0.896  0.376  1.0
  O  O26  1  0.978  0.921  0.126  1.0
  O  O27  1  0.975  0.921  0.622  1.0
  O  O28  1  0.539  0.856  0.133  1.0
  O  O29  1  0.536  0.854  0.620  1.0
  O  O30  1  0.783  0.686  0.969  1.0
  O  O31  1  0.828  0.689  0.785  1.0
  O  O32  1  0.825  0.674  0.469  1.0
  O  O33  1  0.819  0.676  0.284  1.0
  O  O34  1  0.397  0.579  0.862  1.0
  O  O35  1  0.399  0.584  0.376  1.0
  O  O36  1  0.196  0.579  0.627  1.0
  O  O37  1  0.192  0.575  0.133  1.0
  O  O38  1  0.808  0.424  0.875  1.0
  O  O39  1  0.796  0.413  0.373  1.0
  O  O40  1  0.601  0.416  0.627  1.0
  O  O41  1  0.599  0.414  0.124  1.0
  O  O42  1  0.178  0.312  0.716  1.0
  O  O43  1  0.183  0.316  0.533  1.0
  O  O44  1  0.188  0.307  0.217  1.0
  O  O45  1  0.174  0.317  0.033  1.0
  O  O46  1  0.468  0.151  0.875  1.0
  O  O47  1  0.482  0.134  0.376  1.0
  O  O48  1  0.031  0.079  0.872  1.0
  O  O49  1  0.037  0.111  0.375  1.0
  O  O50  1  0.669  0.106  0.125  1.0
  O  O51  1  0.664  0.105  0.625  1.0
[/CIF]
.