The material described by Na2MnCPO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(5), one O(7), and one O(8) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(14), one O(2), one O(3), one O(5), and one O(9) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(4), one O(6), and one O(9) atom. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(13), one O(14), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(15), one O(16), one O(20), one O(22), one O(23), one O(25), and one O(27) atom. In the sixth Na site, Na(6) is bonded in a 6-coordinate geometry to one O(17), one O(18), one O(20), one O(24), one O(26), and one O(28) atom. In the seventh Na site, Na(7) is bonded to one O(15), one O(17), one O(19), one O(21), one O(24), one O(26), and one O(27) atom to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one P(3)O4 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the eighth Na site, Na(8) is bonded in a 6-coordinate geometry to one O(21), one O(22), one O(27), 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 to one O(12), one O(18), one O(3), one O(6), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(13), one O(15), one O(4), one O(5), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Na(7)O7 pentagonal bipyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to one O(11), one O(17), one O(20), one O(21), one O(23), and one O(26) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a faceface with one Na(7)O7 pentagonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(14), one O(16), one O(19), one O(22), one O(24), and one O(25) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Na(7)O7 pentagonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(27), one O(4), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(28), one O(3), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(23), and one O(26) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(25) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(16), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(17), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Na(7)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 39-50°. In the third P site, P(3) is bonded to one O(12), one O(15), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  an edgeedge with one Na(7)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 38-52°. In the fourth P site, P(4) is bonded to one O(13), one O(18), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Na(7)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 41-50°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one C(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Na(4), and one C(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Mn(1), and one C(2) atom. In the fourth O site, O(4) is bonded to one Na(3), one Na(4), one Na(8), one Mn(2), and one C(1) atom to form distorted ONa3MnC trigonal bipyramids that share  an edgeedge with one O(5)Na2MnC trigonal pyramid and  a faceface with one O(6)Na3MnC trigonal bipyramid. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Mn(2), and one C(1) atom to form distorted edge-sharing ONa2MnC trigonal pyramids. In the sixth O site, O(6) is bonded to one Na(3), one Na(4), one Na(8), one Mn(1), and one C(2) atom to form distorted face-sharing ONa3MnC trigonal bipyramids. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Mn(3), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Mn(1), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(4), one Mn(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Mn(4), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(5), one Na(7), one Mn(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(5), one Mn(4), and one P(1) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Na(7), one Mn(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Na(6), one Mn(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Na(7), one Mn(4), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Na(5), one Na(6), one Mn(3), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Na(7), one Na(8), one Mn(3), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a 1-coordinate geometry to one Na(5), one Na(8), one Mn(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Na(5), one Mn(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal pyramidal geometry to one Na(6), one Na(7), one Mn(4), and one C(4) atom. In the twenty-fifth O site, O(25) is bonded in a distorted T-shaped geometry to one Na(5), one Mn(4), and one C(4) atom. In the twenty-sixth O site, O(26) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Na(7), one Mn(3), and one C(3) atom. In the twenty-seventh O site, O(27) is bonded in a distorted rectangular see-saw-like geometry to one Na(5), one Na(7), one Na(8), and one C(1) atom. In the twenty-eighth O site, O(28) is bonded in a distorted T-shaped geometry to one Na(6), one Na(8), and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.469
_cell_length_b   8.555
_cell_length_c   8.894
_cell_angle_alpha   90.512
_cell_angle_beta   91.345
_cell_angle_gamma   105.154
_symmetry_Int_Tables_number   1
_cell_volume   621.704
_cell_formula_units_Z   4
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  0.618  0.624  0.759  1.0
  Na  Na1  1  0.877  0.369  0.761  1.0
  Na  Na2  1  0.384  0.866  0.743  1.0
  Na  Na3  1  0.115  0.132  0.743  1.0
  Na  Na4  1  0.871  0.871  0.245  1.0
  Na  Na5  1  0.397  0.378  0.252  1.0
  Na  Na6  1  0.109  0.616  0.249  1.0
  Na  Na7  1  0.255  0.993  0.085  1.0
  Mn  Mn8  1  0.516  0.264  0.647  1.0
  Mn  Mn9  1  0.014  0.766  0.647  1.0
  Mn  Mn10  1  0.483  0.739  0.350  1.0
  Mn  Mn11  1  0.972  0.232  0.347  1.0
  P  P12  1  0.732  0.980  0.579  1.0
  P  P13  1  0.227  0.479  0.577  1.0
  P  P14  1  0.772  0.525  0.421  1.0
  P  P15  1  0.270  0.022  0.419  1.0
  C  C16  1  0.993  0.742  0.930  1.0
  C  C17  1  0.484  0.236  0.927  1.0
  C  C18  1  0.509  0.759  0.072  1.0
  C  C19  1  0.012  0.257  0.072  1.0
  O  O20  1  0.508  0.761  0.931  1.0
  O  O21  1  0.024  0.263  0.932  1.0
  O  O22  1  0.596  0.344  0.853  1.0
  O  O23  1  0.103  0.849  0.852  1.0
  O  O24  1  0.888  0.638  0.849  1.0
  O  O25  1  0.385  0.131  0.836  1.0
  O  O26  1  0.858  0.919  0.676  1.0
  O  O27  1  0.358  0.423  0.671  1.0
  O  O28  1  0.675  0.109  0.670  1.0
  O  O29  1  0.169  0.608  0.668  1.0
  O  O30  1  0.578  0.831  0.547  1.0
  O  O31  1  0.709  0.455  0.576  1.0
  O  O32  1  0.202  0.955  0.573  1.0
  O  O33  1  0.077  0.327  0.545  1.0
  O  O34  1  0.920  0.682  0.455  1.0
  O  O35  1  0.805  0.043  0.427  1.0
  O  O36  1  0.296  0.548  0.424  1.0
  O  O37  1  0.418  0.174  0.455  1.0
  O  O38  1  0.843  0.410  0.328  1.0
  O  O39  1  0.640  0.580  0.331  1.0
  O  O40  1  0.324  0.892  0.326  1.0
  O  O41  1  0.144  0.077  0.319  1.0
  O  O42  1  0.613  0.856  0.161  1.0
  O  O43  1  0.109  0.357  0.168  1.0
  O  O44  1  0.900  0.145  0.140  1.0
  O  O45  1  0.394  0.653  0.147  1.0
  O  O46  1  0.001  0.752  0.072  1.0
  O  O47  1  0.473  0.235  0.066  1.0
[/CIF]
.
The material described by Na2MnCPO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(5), one O(7), and one O(8) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(14), one O(2), one O(3), one O(5), and one O(9) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(4), one O(6), and one O(9) atom. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one O(13), one O(14), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(15), one O(16), one O(20), one O(22), one O(23), one O(25), and one O(27) atom. In the sixth Na site, Na(6) is bonded in a 6-coordinate geometry to one O(17), one O(18), one O(20), one O(24), one O(26), and one O(28) atom. In the seventh Na site, Na(7) is bonded to one O(15), one O(17), one O(19), one O(21), one O(24), one O(26), and one O(27) atom to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one P(3)O4 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the eighth Na site, Na(8) is bonded in a 6-coordinate geometry to one O(21), one O(22), one O(27), 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 to one O(12), one O(18), one O(3), one O(6), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(13), one O(15), one O(4), one O(5), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one Na(7)O7 pentagonal bipyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to one O(11), one O(17), one O(20), one O(21), one O(23), and one O(26) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a faceface with one Na(7)O7 pentagonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(14), one O(16), one O(19), one O(22), one O(24), and one O(25) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one Na(7)O7 pentagonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(27), one O(4), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(28), one O(3), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(23), and one O(26) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(25) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(16), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(17), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Na(7)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 39-50°. In the third P site, P(3) is bonded to one O(12), one O(15), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  an edgeedge with one Na(7)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 38-52°. In the fourth P site, P(4) is bonded to one O(13), one O(18), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Na(7)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 41-50°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), and one C(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Na(4), and one C(4) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Mn(1), and one C(2) atom. In the fourth O site, O(4) is bonded to one Na(3), one Na(4), one Na(8), one Mn(2), and one C(1) atom to form distorted ONa3MnC trigonal bipyramids that share  an edgeedge with one O(5)Na2MnC trigonal pyramid and  a faceface with one O(6)Na3MnC trigonal bipyramid. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Mn(2), and one C(1) atom to form distorted edge-sharing ONa2MnC trigonal pyramids. In the sixth O site, O(6) is bonded to one Na(3), one Na(4), one Na(8), one Mn(1), and one C(2) atom to form distorted face-sharing ONa3MnC trigonal bipyramids. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Mn(3), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Mn(1), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(4), one Mn(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Mn(4), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(5), one Na(7), one Mn(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(5), one Mn(4), and one P(1) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Na(7), one Mn(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Na(6), one Mn(1), and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Na(7), one Mn(4), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Na(5), one Na(6), one Mn(3), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Na(7), one Na(8), one Mn(3), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a 1-coordinate geometry to one Na(5), one Na(8), one Mn(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one Na(5), one Mn(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal pyramidal geometry to one Na(6), one Na(7), one Mn(4), and one C(4) atom. In the twenty-fifth O site, O(25) is bonded in a distorted T-shaped geometry to one Na(5), one Mn(4), and one C(4) atom. In the twenty-sixth O site, O(26) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Na(7), one Mn(3), and one C(3) atom. In the twenty-seventh O site, O(27) is bonded in a distorted rectangular see-saw-like geometry to one Na(5), one Na(7), one Na(8), and one C(1) atom. In the twenty-eighth O site, O(28) is bonded in a distorted T-shaped geometry to one Na(6), one Na(8), and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MnPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.469
_cell_length_b   8.555
_cell_length_c   8.894
_cell_angle_alpha   90.512
_cell_angle_beta   91.345
_cell_angle_gamma   105.154
_symmetry_Int_Tables_number   1
_cell_volume   621.704
_cell_formula_units_Z   4
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  0.618  0.624  0.759  1.0
  Na  Na1  1  0.877  0.369  0.761  1.0
  Na  Na2  1  0.384  0.866  0.743  1.0
  Na  Na3  1  0.115  0.132  0.743  1.0
  Na  Na4  1  0.871  0.871  0.245  1.0
  Na  Na5  1  0.397  0.378  0.252  1.0
  Na  Na6  1  0.109  0.616  0.249  1.0
  Na  Na7  1  0.255  0.993  0.085  1.0
  Mn  Mn8  1  0.516  0.264  0.647  1.0
  Mn  Mn9  1  0.014  0.766  0.647  1.0
  Mn  Mn10  1  0.483  0.739  0.350  1.0
  Mn  Mn11  1  0.972  0.232  0.347  1.0
  P  P12  1  0.732  0.980  0.579  1.0
  P  P13  1  0.227  0.479  0.577  1.0
  P  P14  1  0.772  0.525  0.421  1.0
  P  P15  1  0.270  0.022  0.419  1.0
  C  C16  1  0.993  0.742  0.930  1.0
  C  C17  1  0.484  0.236  0.927  1.0
  C  C18  1  0.509  0.759  0.072  1.0
  C  C19  1  0.012  0.257  0.072  1.0
  O  O20  1  0.508  0.761  0.931  1.0
  O  O21  1  0.024  0.263  0.932  1.0
  O  O22  1  0.596  0.344  0.853  1.0
  O  O23  1  0.103  0.849  0.852  1.0
  O  O24  1  0.888  0.638  0.849  1.0
  O  O25  1  0.385  0.131  0.836  1.0
  O  O26  1  0.858  0.919  0.676  1.0
  O  O27  1  0.358  0.423  0.671  1.0
  O  O28  1  0.675  0.109  0.670  1.0
  O  O29  1  0.169  0.608  0.668  1.0
  O  O30  1  0.578  0.831  0.547  1.0
  O  O31  1  0.709  0.455  0.576  1.0
  O  O32  1  0.202  0.955  0.573  1.0
  O  O33  1  0.077  0.327  0.545  1.0
  O  O34  1  0.920  0.682  0.455  1.0
  O  O35  1  0.805  0.043  0.427  1.0
  O  O36  1  0.296  0.548  0.424  1.0
  O  O37  1  0.418  0.174  0.455  1.0
  O  O38  1  0.843  0.410  0.328  1.0
  O  O39  1  0.640  0.580  0.331  1.0
  O  O40  1  0.324  0.892  0.326  1.0
  O  O41  1  0.144  0.077  0.319  1.0
  O  O42  1  0.613  0.856  0.161  1.0
  O  O43  1  0.109  0.357  0.168  1.0
  O  O44  1  0.900  0.145  0.140  1.0
  O  O45  1  0.394  0.653  0.147  1.0
  O  O46  1  0.001  0.752  0.072  1.0
  O  O47  1  0.473  0.235  0.066  1.0
[/CIF]
.