The material structure described by Na2LiFeCPO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(23), one O(26), one O(7), and one O(8) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(24), one O(25), 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(12), one O(4), one O(5), and one O(8) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(2), one O(3), one O(6), and one O(7) atom. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(14), one O(2), one O(3), one O(6), and one O(8) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(15), one O(16), one O(19), one O(21), one O(23), one O(26), and one O(27) atom. In the seventh Na site, Na(7) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(19), one O(21), one O(24), one O(25), and one O(28) atom. In the eighth Na site, Na(8) is bonded in a 6-coordinate geometry to one O(17), one O(18), one O(20), one O(24), one O(25), and one O(28) atom. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(11), one O(12), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(15), one O(16), one O(22), and one O(27) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(19), one O(20), one O(27), one O(4), and one O(5) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(21), one O(22), one O(28), and one O(3) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(3), one O(5), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(18), one O(4), one O(6), and one O(9) atom. In the third Fe site, Fe(3) is bonded to one O(11), one O(17), one O(19), one O(20), one O(23), and one O(25) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(15), one O(21), one O(22), one O(24), and one O(26) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. 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(3), 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(4), 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(25) 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(26) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(17), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the third P site, P(3) is bonded to one O(12), one O(16), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the fourth P site, P(4) is bonded to one O(14), one O(18), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Li(1), and one C(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(5), and one C(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(4), one Na(5), one Li(4), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(3), one Li(3), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(3), one Li(3), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Na(5), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(4), one Fe(1), and one P(1) atom to form distorted ONa2FeP trigonal pyramids that share  a cornercorner with one O(13)Na2FeP tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra, and  a cornercorner with one O(16)NaLiFeP tetrahedra. 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(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(2), one Li(1), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(5), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(3), one Li(1), one Fe(3), and one P(1) atom to form distorted corner-sharing ONaLiFeP tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(3), one Li(1), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded to one Na(4), one Na(5), one Fe(4), and one P(2) atom to form distorted ONa2FeP tetrahedra that share  a cornercorner with one O(24)Na3FeC trigonal bipyramid and  a cornercorner with one O(7)Na2FeP trigonal pyramid. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Na(4), one Na(5), one Fe(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(6), one Li(2), one Fe(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded to one Na(6), one Li(2), one Fe(1), and one P(3) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(7)Na2FeP trigonal pyramid and  an edgeedge with one O(27)NaLi2C tetrahedra. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Na(7), one Na(8), one Fe(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded to one Na(7), one Na(8), one Fe(2), and one P(4) atom to form distorted ONa2FeP tetrahedra that share corners with two equivalent O(24)Na3FeC trigonal bipyramids and  an edgeedge with one O(28)Na2LiC tetrahedra. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Na(6), one Na(7), one Li(3), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Na(8), one Li(3), one Fe(3), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(6), one Na(7), one Li(4), one Fe(4), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Fe(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Na(1), one Na(6), one Fe(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded to one Na(2), one Na(7), one Na(8), one Fe(4), and one C(4) atom to form distorted ONa3FeC trigonal bipyramids that share  a cornercorner with one O(13)Na2FeP tetrahedra, corners with two equivalent O(18)Na2FeP tetrahedra, and corners with two equivalent O(28)Na2LiC tetrahedra. In the twenty-fifth O site, O(25) is bonded in a 5-coordinate geometry to one Na(2), one Na(7), one Na(8), one Fe(3), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Na(1), one Na(6), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded to one Na(6), one Li(2), one Li(3), and one C(1) atom to form distorted edge-sharing ONaLi2C tetrahedra. In the twenty-eighth O site, O(28) is bonded to one Na(7), one Na(8), one Li(4), and one C(2) atom to form distorted ONa2LiC tetrahedra that share corners with two equivalent O(24)Na3FeC trigonal bipyramids and  an edgeedge with one O(18)Na2FeP tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2LiFePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.676
_cell_length_b   8.844
_cell_length_c   10.335
_cell_angle_alpha   91.985
_cell_angle_beta   90.261
_cell_angle_gamma   91.115
_symmetry_Int_Tables_number   1
_cell_volume   609.659
_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  0.237  0.919  0.879  1.0
  Na  Na1  1  0.247  0.916  0.381  1.0
  Na  Na2  1  0.502  0.740  0.627  1.0
  Na  Na3  1  0.002  0.736  0.127  1.0
  Na  Na4  1  0.499  0.738  0.126  1.0
  Na  Na5  1  0.500  0.260  0.873  1.0
  Na  Na6  1  0.506  0.259  0.376  1.0
  Na  Na7  1  0.996  0.259  0.377  1.0
  Li  Li8  1  0.031  0.716  0.614  1.0
  Li  Li9  1  0.970  0.281  0.885  1.0
  Li  Li10  1  0.778  0.090  0.629  1.0
  Li  Li11  1  0.756  0.100  0.120  1.0
  Fe  Fe12  1  0.748  0.651  0.888  1.0
  Fe  Fe13  1  0.756  0.647  0.395  1.0
  Fe  Fe14  1  0.248  0.347  0.614  1.0
  Fe  Fe15  1  0.243  0.349  0.107  1.0
  P  P16  1  0.236  0.585  0.852  1.0
  P  P17  1  0.254  0.584  0.359  1.0
  P  P18  1  0.759  0.409  0.650  1.0
  P  P19  1  0.746  0.409  0.143  1.0
  C  C20  1  0.760  0.958  0.862  1.0
  C  C21  1  0.753  0.949  0.358  1.0
  C  C22  1  0.242  0.050  0.636  1.0
  C  C23  1  0.248  0.057  0.137  1.0
  O  O24  1  0.226  0.904  0.641  1.0
  O  O25  1  0.256  0.912  0.147  1.0
  O  O26  1  0.752  0.921  0.983  1.0
  O  O27  1  0.752  0.921  0.481  1.0
  O  O28  1  0.750  0.852  0.771  1.0
  O  O29  1  0.760  0.836  0.272  1.0
  O  O30  1  0.061  0.685  0.899  1.0
  O  O31  1  0.433  0.673  0.890  1.0
  O  O32  1  0.071  0.679  0.407  1.0
  O  O33  1  0.444  0.682  0.397  1.0
  O  O34  1  0.225  0.567  0.700  1.0
  O  O35  1  0.773  0.568  0.589  1.0
  O  O36  1  0.244  0.562  0.209  1.0
  O  O37  1  0.746  0.564  0.078  1.0
  O  O38  1  0.226  0.425  0.910  1.0
  O  O39  1  0.768  0.431  0.801  1.0
  O  O40  1  0.256  0.429  0.422  1.0
  O  O41  1  0.757  0.434  0.293  1.0
  O  O42  1  0.564  0.320  0.611  1.0
  O  O43  1  0.932  0.304  0.606  1.0
  O  O44  1  0.557  0.311  0.107  1.0
  O  O45  1  0.925  0.309  0.096  1.0
  O  O46  1  0.252  0.136  0.741  1.0
  O  O47  1  0.240  0.146  0.240  1.0
  O  O48  1  0.248  0.116  0.525  1.0
  O  O49  1  0.246  0.118  0.024  1.0
  O  O50  1  0.777  0.099  0.830  1.0
  O  O51  1  0.746  0.086  0.317  1.0
[/CIF]
.
The material structure described by Na2LiFeCPO7 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(23), one O(26), one O(7), and one O(8) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(24), one O(25), 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(12), one O(4), one O(5), and one O(8) atom. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(2), one O(3), one O(6), and one O(7) atom. In the fifth Na site, Na(5) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(14), one O(2), one O(3), one O(6), and one O(8) atom. In the sixth Na site, Na(6) is bonded in a 7-coordinate geometry to one O(15), one O(16), one O(19), one O(21), one O(23), one O(26), and one O(27) atom. In the seventh Na site, Na(7) is bonded in a 7-coordinate geometry to one O(17), one O(18), one O(19), one O(21), one O(24), one O(25), and one O(28) atom. In the eighth Na site, Na(8) is bonded in a 6-coordinate geometry to one O(17), one O(18), one O(20), one O(24), one O(25), and one O(28) atom. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(11), one O(12), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(15), one O(16), one O(22), and one O(27) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(19), one O(20), one O(27), one O(4), and one O(5) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(21), one O(22), one O(28), and one O(3) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(3), one O(5), one O(7), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(18), one O(4), one O(6), and one O(9) atom. In the third Fe site, Fe(3) is bonded to one O(11), one O(17), one O(19), one O(20), one O(23), and one O(25) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(13), one O(15), one O(21), one O(22), one O(24), and one O(26) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. 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(3), 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(4), 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(25) 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(26) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(17), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra and  a cornercorner with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the third P site, P(3) is bonded to one O(12), one O(16), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the fourth P site, P(4) is bonded to one O(14), one O(18), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Li(1), and one C(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Na(5), and one C(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Na(4), one Na(5), one Li(4), one Fe(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(3), one Li(3), one Fe(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(3), one Li(3), one Fe(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Na(5), one Fe(2), and one C(2) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(4), one Fe(1), and one P(1) atom to form distorted ONa2FeP trigonal pyramids that share  a cornercorner with one O(13)Na2FeP tetrahedra,  a cornercorner with one O(11)NaLiFeP tetrahedra, and  a cornercorner with one O(16)NaLiFeP tetrahedra. 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(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(2), one Li(1), one Fe(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(5), one Fe(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Na(3), one Li(1), one Fe(3), and one P(1) atom to form distorted corner-sharing ONaLiFeP tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(3), one Li(1), one Fe(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded to one Na(4), one Na(5), one Fe(4), and one P(2) atom to form distorted ONa2FeP tetrahedra that share  a cornercorner with one O(24)Na3FeC trigonal bipyramid and  a cornercorner with one O(7)Na2FeP trigonal pyramid. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Na(4), one Na(5), one Fe(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(6), one Li(2), one Fe(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded to one Na(6), one Li(2), one Fe(1), and one P(3) atom to form distorted ONaLiFeP tetrahedra that share  a cornercorner with one O(7)Na2FeP trigonal pyramid and  an edgeedge with one O(27)NaLi2C tetrahedra. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Na(7), one Na(8), one Fe(3), and one P(2) atom. In the eighteenth O site, O(18) is bonded to one Na(7), one Na(8), one Fe(2), and one P(4) atom to form distorted ONa2FeP tetrahedra that share corners with two equivalent O(24)Na3FeC trigonal bipyramids and  an edgeedge with one O(28)Na2LiC tetrahedra. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Na(6), one Na(7), one Li(3), one Fe(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Na(8), one Li(3), one Fe(3), and one P(3) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Na(6), one Na(7), one Li(4), one Fe(4), and one P(4) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Fe(4), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Na(1), one Na(6), one Fe(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded to one Na(2), one Na(7), one Na(8), one Fe(4), and one C(4) atom to form distorted ONa3FeC trigonal bipyramids that share  a cornercorner with one O(13)Na2FeP tetrahedra, corners with two equivalent O(18)Na2FeP tetrahedra, and corners with two equivalent O(28)Na2LiC tetrahedra. In the twenty-fifth O site, O(25) is bonded in a 5-coordinate geometry to one Na(2), one Na(7), one Na(8), one Fe(3), and one C(3) atom. In the twenty-sixth O site, O(26) is bonded in a 4-coordinate geometry to one Na(1), one Na(6), one Fe(4), and one C(4) atom. In the twenty-seventh O site, O(27) is bonded to one Na(6), one Li(2), one Li(3), and one C(1) atom to form distorted edge-sharing ONaLi2C tetrahedra. In the twenty-eighth O site, O(28) is bonded to one Na(7), one Na(8), one Li(4), and one C(2) atom to form distorted ONa2LiC tetrahedra that share corners with two equivalent O(24)Na3FeC trigonal bipyramids and  an edgeedge with one O(18)Na2FeP tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2LiFePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.676
_cell_length_b   8.844
_cell_length_c   10.335
_cell_angle_alpha   91.985
_cell_angle_beta   90.261
_cell_angle_gamma   91.115
_symmetry_Int_Tables_number   1
_cell_volume   609.659
_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  0.237  0.919  0.879  1.0
  Na  Na1  1  0.247  0.916  0.381  1.0
  Na  Na2  1  0.502  0.740  0.627  1.0
  Na  Na3  1  0.002  0.736  0.127  1.0
  Na  Na4  1  0.499  0.738  0.126  1.0
  Na  Na5  1  0.500  0.260  0.873  1.0
  Na  Na6  1  0.506  0.259  0.376  1.0
  Na  Na7  1  0.996  0.259  0.377  1.0
  Li  Li8  1  0.031  0.716  0.614  1.0
  Li  Li9  1  0.970  0.281  0.885  1.0
  Li  Li10  1  0.778  0.090  0.629  1.0
  Li  Li11  1  0.756  0.100  0.120  1.0
  Fe  Fe12  1  0.748  0.651  0.888  1.0
  Fe  Fe13  1  0.756  0.647  0.395  1.0
  Fe  Fe14  1  0.248  0.347  0.614  1.0
  Fe  Fe15  1  0.243  0.349  0.107  1.0
  P  P16  1  0.236  0.585  0.852  1.0
  P  P17  1  0.254  0.584  0.359  1.0
  P  P18  1  0.759  0.409  0.650  1.0
  P  P19  1  0.746  0.409  0.143  1.0
  C  C20  1  0.760  0.958  0.862  1.0
  C  C21  1  0.753  0.949  0.358  1.0
  C  C22  1  0.242  0.050  0.636  1.0
  C  C23  1  0.248  0.057  0.137  1.0
  O  O24  1  0.226  0.904  0.641  1.0
  O  O25  1  0.256  0.912  0.147  1.0
  O  O26  1  0.752  0.921  0.983  1.0
  O  O27  1  0.752  0.921  0.481  1.0
  O  O28  1  0.750  0.852  0.771  1.0
  O  O29  1  0.760  0.836  0.272  1.0
  O  O30  1  0.061  0.685  0.899  1.0
  O  O31  1  0.433  0.673  0.890  1.0
  O  O32  1  0.071  0.679  0.407  1.0
  O  O33  1  0.444  0.682  0.397  1.0
  O  O34  1  0.225  0.567  0.700  1.0
  O  O35  1  0.773  0.568  0.589  1.0
  O  O36  1  0.244  0.562  0.209  1.0
  O  O37  1  0.746  0.564  0.078  1.0
  O  O38  1  0.226  0.425  0.910  1.0
  O  O39  1  0.768  0.431  0.801  1.0
  O  O40  1  0.256  0.429  0.422  1.0
  O  O41  1  0.757  0.434  0.293  1.0
  O  O42  1  0.564  0.320  0.611  1.0
  O  O43  1  0.932  0.304  0.606  1.0
  O  O44  1  0.557  0.311  0.107  1.0
  O  O45  1  0.925  0.309  0.096  1.0
  O  O46  1  0.252  0.136  0.741  1.0
  O  O47  1  0.240  0.146  0.240  1.0
  O  O48  1  0.248  0.116  0.525  1.0
  O  O49  1  0.246  0.118  0.024  1.0
  O  O50  1  0.777  0.099  0.830  1.0
  O  O51  1  0.746  0.086  0.317  1.0
[/CIF]
.