The compound described by Na3Fe(PO4)(CO3) crystallizes in the triclinic P1 space group. There are twelve inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(12), one O(13), one O(4), one O(5), and one O(8) atom to form NaO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Na(3)O6 octahedra, and  an edgeedge with one Na(4)O6 octahedra. In the second Na site, Na(2) is bonded to one O(11), one O(14), one O(2), one O(3), one O(6), and one O(7) atom to form NaO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Na(3)O6 octahedra, and  an edgeedge with one Na(4)O6 octahedra. In the third Na site, Na(3) is bonded to one O(15), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form NaO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra, and  an edgeedge with one Na(2)O6 octahedra. In the fourth Na site, Na(4) is bonded to one O(1), one O(10), one O(16), one O(3), one O(5), and one O(7) atom to form NaO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra, and  an edgeedge with one Na(2)O6 octahedra. In the fifth Na site, Na(5) is bonded in a 5-coordinate geometry to one O(13), one O(21), one O(4), one O(8), and one O(9) atom. In the sixth Na site, Na(6) is bonded in a 5-coordinate geometry to one O(10); one O(14); one O(22,23); one O(3); and one O(7) atom. In the seventh Na site, Na(7) is bonded in a 5-coordinate geometry to one O(11); one O(15); one O(2); one O(22,23); and one O(6) atom. In the eighth Na site, Na(8) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(16), one O(24), and one O(5) atom. In the ninth Na site, Na(9) is bonded to one O(17); one O(19); one O(21); one O(22,23); one O(25); and one O(27) atom to form distorted NaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a faceface with one Na(11)O6 octahedra, and  a faceface with one Na(12)O6 octahedra. In the tenth Na site, Na(10) is bonded to one O(18); one O(20); one O(22,23); one O(24); one O(26); and one O(28) atom to form distorted NaO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a faceface with one Na(11)O6 octahedra, and  a faceface with one Na(12)O6 octahedra. In the eleventh Na site, Na(11) is bonded to one O(17); one O(20); one O(26); one O(27); and two equivalent O(22,23) atoms to form distorted NaO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a faceface with one Na(10)O6 octahedra, and  a faceface with one Na(9)O6 octahedra. In the twelfth Na site, Na(12) is bonded to one O(18), one O(19), one O(21), one O(24), one O(25), and one O(28) atom to form distorted NaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a faceface with one Na(10)O6 octahedra, and  a faceface with one Na(9)O6 octahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(14), one O(18), one O(28), one O(6), and one O(9) atom. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(12), one O(15), one O(20), one O(26), and one O(8) atom. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(17), one O(27), and one O(5) atom. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(11), one O(16), one O(19), one O(25), and one O(7) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(17), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(18), one O(2), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(19), one O(3), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(20), one O(4), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(21), one O(25), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(12)O6 octahedra, and corners with two equivalent Na(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-71°. In the second P site, P(2) is bonded to one O(10); one O(14); one O(22,23); and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra, corners with two equivalent Na(10)O6 octahedra, and corners with two equivalent Na(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-71°. In the third P site, P(3) is bonded to one O(11); one O(15); one O(22,23); and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(11)O6 octahedra, and corners with two equivalent Na(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-71°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(24), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra, corners with two equivalent Na(10)O6 octahedra, and corners with two equivalent Na(12)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-71°. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Na(8), and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Na(7), and one C(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Na(6), and one C(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Na(5), and one C(4) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(8), one Fe(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(7), one Fe(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Na(6), one Fe(4), and one C(3) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(5), one Fe(2), and one C(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(3), one Na(5), one Fe(1), and one P(1) atom. In the tenth O site, O(10) is bonded to one Na(4), one Na(6), one Fe(3), and one P(2) atom to form distorted corner-sharing ONa2FeP trigonal pyramids. In the eleventh O site, O(11) is bonded to one Na(2), one Na(7), one Fe(4), and one P(3) atom to form distorted corner-sharing ONa2FeP trigonal pyramids. In the twelfth O site, O(12) is bonded to one Na(1), one Na(8), one Fe(2), and one P(4) atom to form distorted corner-sharing ONa2FeP trigonal pyramids. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(1), one Na(5), one Fe(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(2), one Na(6), one Fe(1), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(3), one Na(7), one Fe(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Na(4), one Na(8), one Fe(4), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Na(11), one Na(9), one Fe(3), and one C(1) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(10), one Na(12), one Fe(1), and one C(2) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Na(12), one Na(9), one Fe(4), and one C(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Na(10), one Na(11), one Fe(2), and one C(4) atom. In the twenty-first O site, O(21) is bonded to one Na(12), one Na(5), one Na(9), and one P(1) atom to form distorted corner-sharing ONa3P trigonal pyramids. In the twenty-second O site, O(22,23) is bonded to one Na(10), one Na(11), one Na(6), and one P(2) atom to form distorted ONa3P trigonal pyramids that share  a cornercorner with one O(22,23)Na3P trigonal pyramid;  a cornercorner with one O(24)Na3P trigonal pyramid; and corners with two equivalent O(10)Na2FeP trigonal pyramids. In the twenty-third O site, O(24) is bonded to one Na(10), one Na(12), one Na(8), and one P(4) atom to form distorted ONa3P trigonal pyramids that share  a cornercorner with one O(21)Na3P trigonal pyramid;  a cornercorner with one O(22,23)Na3P trigonal pyramid; and corners with two equivalent O(12)Na2FeP trigonal pyramids. In the twenty-fourth O site, O(25) is bonded in a 4-coordinate geometry to one Na(12), one Na(9), one Fe(4), and one P(1) atom. In the twenty-fifth O site, O(26) is bonded in a 4-coordinate geometry to one Na(10), one Na(11), one Fe(2), and one P(2) atom. In the twenty-sixth O site, O(27) is bonded in a 4-coordinate geometry to one Na(11), one Na(9), one Fe(3), and one P(3) atom. In the twenty-seventh O site, O(28) is bonded in a 4-coordinate geometry to one Na(10), one Na(12), one Fe(1), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   6.728
_cell_length_c   9.001
_cell_angle_alpha   90.011
_cell_angle_beta   89.976
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   321.003
_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
  C  C0  1  0.501  0.262  0.154  1.0
  C  C1  1  0.499  0.762  0.846  1.0
  Fe  Fe2  1  0.970  0.262  0.298  1.0
  Fe  Fe3  1  0.030  0.762  0.702  1.0
  Na  Na4  1  0.997  0.516  0.003  1.0
  Na  Na5  1  0.002  0.016  0.997  1.0
  Na  Na6  1  0.558  0.776  0.165  1.0
  Na  Na7  1  0.442  0.276  0.835  1.0
  Na  Na8  1  0.508  0.510  0.495  1.0
  Na  Na9  1  0.493  0.010  0.505  1.0
  O  O10  1  0.677  0.263  0.052  1.0
  O  O11  1  0.323  0.763  0.947  1.0
  O  O12  1  0.263  0.266  0.114  1.0
  O  O13  1  0.737  0.765  0.886  1.0
  O  O14  1  0.930  0.947  0.251  1.0
  O  O15  1  0.070  0.447  0.749  1.0
  O  O16  1  0.918  0.578  0.255  1.0
  O  O17  1  0.082  0.078  0.745  1.0
  O  O18  1  0.562  0.256  0.293  1.0
  O  O19  1  0.438  0.756  0.707  1.0
  O  O20  1  0.303  0.759  0.365  1.0
  O  O21  1  0.698  0.259  0.634  1.0
  O  O22  1  0.876  0.768  0.498  1.0
  O  O23  1  0.124  0.268  0.502  1.0
  P  P24  1  0.015  0.763  0.344  1.0
  P  P25  1  0.985  0.263  0.656  1.0
[/CIF]
.
The compound described by Na3Fe(PO4)(CO3) crystallizes in the triclinic P1 space group. There are twelve inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(12), one O(13), one O(4), one O(5), and one O(8) atom to form NaO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Na(3)O6 octahedra, and  an edgeedge with one Na(4)O6 octahedra. In the second Na site, Na(2) is bonded to one O(11), one O(14), one O(2), one O(3), one O(6), and one O(7) atom to form NaO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Na(3)O6 octahedra, and  an edgeedge with one Na(4)O6 octahedra. In the third Na site, Na(3) is bonded to one O(15), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form NaO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra, and  an edgeedge with one Na(2)O6 octahedra. In the fourth Na site, Na(4) is bonded to one O(1), one O(10), one O(16), one O(3), one O(5), and one O(7) atom to form NaO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra, and  an edgeedge with one Na(2)O6 octahedra. In the fifth Na site, Na(5) is bonded in a 5-coordinate geometry to one O(13), one O(21), one O(4), one O(8), and one O(9) atom. In the sixth Na site, Na(6) is bonded in a 5-coordinate geometry to one O(10); one O(14); one O(22,23); one O(3); and one O(7) atom. In the seventh Na site, Na(7) is bonded in a 5-coordinate geometry to one O(11); one O(15); one O(2); one O(22,23); and one O(6) atom. In the eighth Na site, Na(8) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(16), one O(24), and one O(5) atom. In the ninth Na site, Na(9) is bonded to one O(17); one O(19); one O(21); one O(22,23); one O(25); and one O(27) atom to form distorted NaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a faceface with one Na(11)O6 octahedra, and  a faceface with one Na(12)O6 octahedra. In the tenth Na site, Na(10) is bonded to one O(18); one O(20); one O(22,23); one O(24); one O(26); and one O(28) atom to form distorted NaO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a faceface with one Na(11)O6 octahedra, and  a faceface with one Na(12)O6 octahedra. In the eleventh Na site, Na(11) is bonded to one O(17); one O(20); one O(26); one O(27); and two equivalent O(22,23) atoms to form distorted NaO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a faceface with one Na(10)O6 octahedra, and  a faceface with one Na(9)O6 octahedra. In the twelfth Na site, Na(12) is bonded to one O(18), one O(19), one O(21), one O(24), one O(25), and one O(28) atom to form distorted NaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a faceface with one Na(10)O6 octahedra, and  a faceface with one Na(9)O6 octahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(14), one O(18), one O(28), one O(6), and one O(9) atom. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(12), one O(15), one O(20), one O(26), and one O(8) atom. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(17), one O(27), and one O(5) atom. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(11), one O(16), one O(19), one O(25), and one O(7) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(17), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(18), one O(2), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(19), one O(3), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(20), one O(4), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(21), one O(25), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(12)O6 octahedra, and corners with two equivalent Na(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-71°. In the second P site, P(2) is bonded to one O(10); one O(14); one O(22,23); and one O(26) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra, corners with two equivalent Na(10)O6 octahedra, and corners with two equivalent Na(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-71°. In the third P site, P(3) is bonded to one O(11); one O(15); one O(22,23); and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(11)O6 octahedra, and corners with two equivalent Na(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-71°. In the fourth P site, P(4) is bonded to one O(12), one O(16), one O(24), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra, corners with two equivalent Na(10)O6 octahedra, and corners with two equivalent Na(12)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-71°. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(4), one Na(8), and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Na(7), and one C(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one Na(6), and one C(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Na(5), and one C(4) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Na(1), one Na(4), one Na(8), one Fe(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(7), one Fe(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Na(6), one Fe(4), and one C(3) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(5), one Fe(2), and one C(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(3), one Na(5), one Fe(1), and one P(1) atom. In the tenth O site, O(10) is bonded to one Na(4), one Na(6), one Fe(3), and one P(2) atom to form distorted corner-sharing ONa2FeP trigonal pyramids. In the eleventh O site, O(11) is bonded to one Na(2), one Na(7), one Fe(4), and one P(3) atom to form distorted corner-sharing ONa2FeP trigonal pyramids. In the twelfth O site, O(12) is bonded to one Na(1), one Na(8), one Fe(2), and one P(4) atom to form distorted corner-sharing ONa2FeP trigonal pyramids. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(1), one Na(5), one Fe(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(2), one Na(6), one Fe(1), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(3), one Na(7), one Fe(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Na(4), one Na(8), one Fe(4), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Na(11), one Na(9), one Fe(3), and one C(1) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Na(10), one Na(12), one Fe(1), and one C(2) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Na(12), one Na(9), one Fe(4), and one C(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Na(10), one Na(11), one Fe(2), and one C(4) atom. In the twenty-first O site, O(21) is bonded to one Na(12), one Na(5), one Na(9), and one P(1) atom to form distorted corner-sharing ONa3P trigonal pyramids. In the twenty-second O site, O(22,23) is bonded to one Na(10), one Na(11), one Na(6), and one P(2) atom to form distorted ONa3P trigonal pyramids that share  a cornercorner with one O(22,23)Na3P trigonal pyramid;  a cornercorner with one O(24)Na3P trigonal pyramid; and corners with two equivalent O(10)Na2FeP trigonal pyramids. In the twenty-third O site, O(24) is bonded to one Na(10), one Na(12), one Na(8), and one P(4) atom to form distorted ONa3P trigonal pyramids that share  a cornercorner with one O(21)Na3P trigonal pyramid;  a cornercorner with one O(22,23)Na3P trigonal pyramid; and corners with two equivalent O(12)Na2FeP trigonal pyramids. In the twenty-fourth O site, O(25) is bonded in a 4-coordinate geometry to one Na(12), one Na(9), one Fe(4), and one P(1) atom. In the twenty-fifth O site, O(26) is bonded in a 4-coordinate geometry to one Na(10), one Na(11), one Fe(2), and one P(2) atom. In the twenty-sixth O site, O(27) is bonded in a 4-coordinate geometry to one Na(11), one Na(9), one Fe(3), and one P(3) atom. In the twenty-seventh O site, O(28) is bonded in a 4-coordinate geometry to one Na(10), one Na(12), one Fe(1), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3FePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   6.728
_cell_length_c   9.001
_cell_angle_alpha   90.011
_cell_angle_beta   89.976
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   321.003
_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
  C  C0  1  0.501  0.262  0.154  1.0
  C  C1  1  0.499  0.762  0.846  1.0
  Fe  Fe2  1  0.970  0.262  0.298  1.0
  Fe  Fe3  1  0.030  0.762  0.702  1.0
  Na  Na4  1  0.997  0.516  0.003  1.0
  Na  Na5  1  0.002  0.016  0.997  1.0
  Na  Na6  1  0.558  0.776  0.165  1.0
  Na  Na7  1  0.442  0.276  0.835  1.0
  Na  Na8  1  0.508  0.510  0.495  1.0
  Na  Na9  1  0.493  0.010  0.505  1.0
  O  O10  1  0.677  0.263  0.052  1.0
  O  O11  1  0.323  0.763  0.947  1.0
  O  O12  1  0.263  0.266  0.114  1.0
  O  O13  1  0.737  0.765  0.886  1.0
  O  O14  1  0.930  0.947  0.251  1.0
  O  O15  1  0.070  0.447  0.749  1.0
  O  O16  1  0.918  0.578  0.255  1.0
  O  O17  1  0.082  0.078  0.745  1.0
  O  O18  1  0.562  0.256  0.293  1.0
  O  O19  1  0.438  0.756  0.707  1.0
  O  O20  1  0.303  0.759  0.365  1.0
  O  O21  1  0.698  0.259  0.634  1.0
  O  O22  1  0.876  0.768  0.498  1.0
  O  O23  1  0.124  0.268  0.502  1.0
  P  P24  1  0.015  0.763  0.344  1.0
  P  P25  1  0.985  0.263  0.656  1.0
[/CIF]
.