The crystal structure described by NaV3H6(SO7)2 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(10), one O(12), one O(14), one O(15), one O(18), one O(19), one O(21), one O(23), one O(26), one O(28), one O(5), and one O(7) atom to form distorted NaO12 cuboctahedra that share  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(4)O4 tetrahedra,  a faceface with one V(3)O6 octahedra,  a faceface with one V(6)O6 octahedra, faces with two equivalent V(1)O6 octahedra, and faces with two equivalent V(2)O6 octahedra. In the second Na site, Na(2) is bonded to one O(11), one O(13), one O(16), one O(17), one O(20), one O(22), one O(24), one O(25), one O(27), one O(6), one O(8), and one O(9) atom to form distorted NaO12 cuboctahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, corners with two equivalent S(3)O4 tetrahedra,  a faceface with one V(3)O6 octahedra,  a faceface with one V(6)O6 octahedra, faces with two equivalent V(4)O6 octahedra, and faces with two equivalent V(5)O6 octahedra. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(18), one O(21), one O(23), one O(28), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and faces with two equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 48°. In the second V site, V(2) is bonded to one O(14), one O(18), one O(19), one O(23), one O(26), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and faces with two equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the third V site, V(3) is bonded to one O(10), one O(16), one O(20), one O(22), one O(26), and one O(28) atom to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra,  a faceface with one Na(1)O12 cuboctahedra, and  a faceface with one Na(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the fourth V site, V(4) is bonded to one O(11), one O(17), one O(22), one O(24), one O(27), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and faces with two equivalent Na(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 48°. In the fifth V site, V(5) is bonded to one O(13), one O(17), one O(20), one O(24), one O(25), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and faces with two equivalent Na(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the sixth V site, V(6) is bonded to one O(15), one O(19), one O(21), one O(25), one O(27), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a faceface with one Na(1)O12 cuboctahedra, and  a faceface with one Na(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 48°. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(23) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(24) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(25) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(26) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(27) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(28) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(17) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(18) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(19) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(20) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(21) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(22) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(5), one O(7), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Na(2)O12 cuboctahedra, corners with two equivalent Na(1)O12 cuboctahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, and  a cornercorner with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second S site, S(2) is bonded to one O(10), one O(2), one O(6), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Na(1)O12 cuboctahedra, corners with two equivalent Na(2)O12 cuboctahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third S site, S(3) is bonded to one O(11), one O(13), one O(15), and one O(3) atom to form SO4 tetrahedra that share  a cornercorner with one Na(1)O12 cuboctahedra, corners with two equivalent Na(2)O12 cuboctahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, and  a cornercorner with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fourth S site, S(4) is bonded to one O(12), one O(14), one O(16), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Na(2)O12 cuboctahedra, corners with two equivalent Na(1)O12 cuboctahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, and  a cornercorner with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Na(1), one V(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Na(2), one V(4), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Na(1), one V(2), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Na(2), one V(5), and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Na(2), one V(6), and one S(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Na(1), one V(3), and one S(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Na(2), one V(4), and one S(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Na(1), one V(1), and one S(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Na(2), one V(5), and one S(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Na(1), one V(2), and one S(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Na(1), one V(6), and one S(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Na(2), one V(3), and one S(4) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Na(2), one V(4), one V(5), and one H(7) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Na(1), one V(1), one V(2), and one H(8) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one Na(1), one V(2), one V(6), and one H(9) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Na(2), one V(3), one V(5), and one H(10) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one Na(1), one V(1), one V(6), and one H(11) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Na(2), one V(3), one V(4), and one H(12) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Na(1), one V(1), one V(2), and one H(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted single-bond geometry to one Na(2), one V(4), one V(5), and one H(2) atom. In the twenty-fifth O site, O(25) is bonded in a distorted single-bond geometry to one Na(2), one V(5), one V(6), and one H(3) atom. In the twenty-sixth O site, O(26) is bonded in a distorted single-bond geometry to one Na(1), one V(2), one V(3), and one H(4) atom. In the twenty-seventh O site, O(27) is bonded in a distorted single-bond geometry to one Na(2), one V(4), one V(6), and one H(5) atom. In the twenty-eighth O site, O(28) is bonded in a distorted single-bond geometry to one Na(1), one V(1), one V(3), and one H(6) atom. is represented by the CIF card [CIF]
data_NaV3H6(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.136
_cell_length_b   7.139
_cell_length_c   7.148
_cell_angle_alpha   117.601
_cell_angle_beta   117.586
_cell_angle_gamma   62.467
_symmetry_Int_Tables_number   1
_cell_volume   271.420
_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
  H  H0  1  0.702  0.284  0.300  1.0
  H  H1  1  0.286  0.698  0.301  1.0
  H  H2  1  0.700  0.701  0.715  1.0
  H  H3  1  0.298  0.716  0.700  1.0
  H  H4  1  0.714  0.301  0.699  1.0
  H  H5  1  0.300  0.299  0.284  1.0
  Na  Na6  1  1.000  0.001  0.000  1.0
  O  O7  1  0.396  0.397  0.606  1.0
  O  O8  1  0.604  0.604  0.394  1.0
  O  O9  1  0.502  0.173  0.831  1.0
  O  O10  1  0.173  0.170  0.500  1.0
  O  O11  1  0.170  0.502  0.829  1.0
  O  O12  1  0.498  0.827  0.169  1.0
  O  O13  1  0.828  0.830  0.500  1.0
  O  O14  1  0.830  0.498  0.171  1.0
  O  O15  1  0.258  0.878  0.741  1.0
  O  O16  1  0.877  0.260  0.740  1.0
  O  O17  1  0.259  0.258  0.122  1.0
  O  O18  1  0.742  0.122  0.259  1.0
  O  O19  1  0.123  0.740  0.260  1.0
  O  O20  1  0.741  0.742  0.878  1.0
  S  S21  1  0.310  0.310  0.691  1.0
  S  S22  1  0.690  0.690  0.309  1.0
  V  V23  1  0.500  1.000  1.000  1.0
  V  V24  1  0.000  1.000  0.500  1.0
  V  V25  1  0.000  0.500  1.000  1.0
[/CIF]
.
The crystal structure described by NaV3H6(SO7)2 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(10), one O(12), one O(14), one O(15), one O(18), one O(19), one O(21), one O(23), one O(26), one O(28), one O(5), and one O(7) atom to form distorted NaO12 cuboctahedra that share  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, corners with two equivalent S(4)O4 tetrahedra,  a faceface with one V(3)O6 octahedra,  a faceface with one V(6)O6 octahedra, faces with two equivalent V(1)O6 octahedra, and faces with two equivalent V(2)O6 octahedra. In the second Na site, Na(2) is bonded to one O(11), one O(13), one O(16), one O(17), one O(20), one O(22), one O(24), one O(25), one O(27), one O(6), one O(8), and one O(9) atom to form distorted NaO12 cuboctahedra that share  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, corners with two equivalent S(2)O4 tetrahedra, corners with two equivalent S(3)O4 tetrahedra,  a faceface with one V(3)O6 octahedra,  a faceface with one V(6)O6 octahedra, faces with two equivalent V(4)O6 octahedra, and faces with two equivalent V(5)O6 octahedra. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(18), one O(21), one O(23), one O(28), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and faces with two equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 48°. In the second V site, V(2) is bonded to one O(14), one O(18), one O(19), one O(23), one O(26), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, and faces with two equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the third V site, V(3) is bonded to one O(10), one O(16), one O(20), one O(22), one O(26), and one O(28) atom to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra,  a faceface with one Na(1)O12 cuboctahedra, and  a faceface with one Na(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the fourth V site, V(4) is bonded to one O(11), one O(17), one O(22), one O(24), one O(27), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and faces with two equivalent Na(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 48°. In the fifth V site, V(5) is bonded to one O(13), one O(17), one O(20), one O(24), one O(25), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  a cornercorner with one S(2)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra, and faces with two equivalent Na(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the sixth V site, V(6) is bonded to one O(15), one O(19), one O(21), one O(25), one O(27), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra,  a cornercorner with one S(1)O4 tetrahedra,  a cornercorner with one S(3)O4 tetrahedra,  a faceface with one Na(1)O12 cuboctahedra, and  a faceface with one Na(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 48°. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(23) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(24) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(25) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(26) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(27) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(28) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(17) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(18) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(19) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(20) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(21) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(22) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(5), one O(7), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Na(2)O12 cuboctahedra, corners with two equivalent Na(1)O12 cuboctahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, and  a cornercorner with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second S site, S(2) is bonded to one O(10), one O(2), one O(6), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Na(1)O12 cuboctahedra, corners with two equivalent Na(2)O12 cuboctahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third S site, S(3) is bonded to one O(11), one O(13), one O(15), and one O(3) atom to form SO4 tetrahedra that share  a cornercorner with one Na(1)O12 cuboctahedra, corners with two equivalent Na(2)O12 cuboctahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, and  a cornercorner with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fourth S site, S(4) is bonded to one O(12), one O(14), one O(16), and one O(4) atom to form SO4 tetrahedra that share  a cornercorner with one Na(2)O12 cuboctahedra, corners with two equivalent Na(1)O12 cuboctahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, and  a cornercorner with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Na(1), one V(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Na(2), one V(4), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Na(1), one V(2), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Na(2), one V(5), and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Na(2), one V(6), and one S(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Na(1), one V(3), and one S(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Na(2), one V(4), and one S(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Na(1), one V(1), and one S(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Na(2), one V(5), and one S(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Na(1), one V(2), and one S(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Na(1), one V(6), and one S(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Na(2), one V(3), and one S(4) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Na(2), one V(4), one V(5), and one H(7) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Na(1), one V(1), one V(2), and one H(8) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one Na(1), one V(2), one V(6), and one H(9) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Na(2), one V(3), one V(5), and one H(10) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one Na(1), one V(1), one V(6), and one H(11) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Na(2), one V(3), one V(4), and one H(12) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Na(1), one V(1), one V(2), and one H(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted single-bond geometry to one Na(2), one V(4), one V(5), and one H(2) atom. In the twenty-fifth O site, O(25) is bonded in a distorted single-bond geometry to one Na(2), one V(5), one V(6), and one H(3) atom. In the twenty-sixth O site, O(26) is bonded in a distorted single-bond geometry to one Na(1), one V(2), one V(3), and one H(4) atom. In the twenty-seventh O site, O(27) is bonded in a distorted single-bond geometry to one Na(2), one V(4), one V(6), and one H(5) atom. In the twenty-eighth O site, O(28) is bonded in a distorted single-bond geometry to one Na(1), one V(1), one V(3), and one H(6) atom. is represented by the CIF card [CIF]
data_NaV3H6(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.136
_cell_length_b   7.139
_cell_length_c   7.148
_cell_angle_alpha   117.601
_cell_angle_beta   117.586
_cell_angle_gamma   62.467
_symmetry_Int_Tables_number   1
_cell_volume   271.420
_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
  H  H0  1  0.702  0.284  0.300  1.0
  H  H1  1  0.286  0.698  0.301  1.0
  H  H2  1  0.700  0.701  0.715  1.0
  H  H3  1  0.298  0.716  0.700  1.0
  H  H4  1  0.714  0.301  0.699  1.0
  H  H5  1  0.300  0.299  0.284  1.0
  Na  Na6  1  1.000  0.001  0.000  1.0
  O  O7  1  0.396  0.397  0.606  1.0
  O  O8  1  0.604  0.604  0.394  1.0
  O  O9  1  0.502  0.173  0.831  1.0
  O  O10  1  0.173  0.170  0.500  1.0
  O  O11  1  0.170  0.502  0.829  1.0
  O  O12  1  0.498  0.827  0.169  1.0
  O  O13  1  0.828  0.830  0.500  1.0
  O  O14  1  0.830  0.498  0.171  1.0
  O  O15  1  0.258  0.878  0.741  1.0
  O  O16  1  0.877  0.260  0.740  1.0
  O  O17  1  0.259  0.258  0.122  1.0
  O  O18  1  0.742  0.122  0.259  1.0
  O  O19  1  0.123  0.740  0.260  1.0
  O  O20  1  0.741  0.742  0.878  1.0
  S  S21  1  0.310  0.310  0.691  1.0
  S  S22  1  0.690  0.690  0.309  1.0
  V  V23  1  0.500  1.000  1.000  1.0
  V  V24  1  0.000  1.000  0.500  1.0
  V  V25  1  0.000  0.500  1.000  1.0
[/CIF]
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