The structure described by FeV2S4 crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(10), one S(16), one S(7), one S(8), and one S(9) atom to form VS6 octahedra that share corners with two equivalent V(3)S6 octahedra, corners with two equivalent V(4)S6 octahedra, corners with two equivalent V(5)S6 octahedra, corners with two equivalent V(6)S6 octahedra, corners with two equivalent V(7)S6 octahedra, corners with two equivalent Fe(4)S6 octahedra,  an edgeedge with one Fe(1)S6 octahedra,  an edgeedge with one Fe(3)S6 octahedra,  a faceface with one V(5)S6 octahedra, and  a faceface with one Fe(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the second V site, V(2) is bonded to one S(11), one S(14), one S(15), one S(2), one S(3), and one S(4) atom to form distorted VS6 octahedra that share corners with two equivalent Fe(1)S6 octahedra, corners with two equivalent Fe(2)S6 octahedra, corners with two equivalent Fe(3)S6 octahedra,  an edgeedge with one V(3)S6 octahedra,  an edgeedge with one V(4)S6 octahedra,  an edgeedge with one V(6)S6 octahedra,  an edgeedge with one V(7)S6 octahedra, edges with two equivalent V(8)S6 octahedra, and  a faceface with one Fe(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the third V site, V(3) is bonded to one S(10), one S(16), one S(2), one S(4), one S(5), and one S(6) atom to form distorted VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent Fe(2)S6 octahedra, corners with two equivalent Fe(3)S6 octahedra,  an edgeedge with one V(2)S6 octahedra,  an edgeedge with one V(5)S6 octahedra,  an edgeedge with one V(8)S6 octahedra,  an edgeedge with one Fe(4)S6 octahedra, edges with two equivalent V(4)S6 octahedra, and  a faceface with one Fe(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the fourth V site, V(4) is bonded to one S(14), one S(16), one S(4), one S(5), one S(6), and one S(8) atom to form distorted VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent Fe(2)S6 octahedra, corners with two equivalent Fe(3)S6 octahedra,  an edgeedge with one V(2)S6 octahedra,  an edgeedge with one V(5)S6 octahedra,  an edgeedge with one V(8)S6 octahedra,  an edgeedge with one Fe(4)S6 octahedra, edges with two equivalent V(3)S6 octahedra, and  a faceface with one Fe(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the fifth V site, V(5) is bonded to one S(10), one S(12), one S(16), one S(7), one S(8), and one S(9) atom to form distorted VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent Fe(1)S6 octahedra, corners with two equivalent Fe(3)S6 octahedra,  an edgeedge with one V(3)S6 octahedra,  an edgeedge with one V(4)S6 octahedra,  an edgeedge with one V(6)S6 octahedra,  an edgeedge with one V(7)S6 octahedra, edges with two equivalent Fe(4)S6 octahedra, and  a faceface with one V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the sixth V site, V(6) is bonded to one S(1), one S(11), one S(12), one S(13), one S(3), and one S(9) atom to form distorted VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent Fe(1)S6 octahedra, corners with two equivalent Fe(2)S6 octahedra,  an edgeedge with one V(2)S6 octahedra,  an edgeedge with one V(5)S6 octahedra,  an edgeedge with one V(8)S6 octahedra,  an edgeedge with one Fe(4)S6 octahedra, edges with two equivalent V(7)S6 octahedra, and  a faceface with one Fe(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the seventh V site, V(7) is bonded to one S(1), one S(11), one S(12), one S(13), one S(15), and one S(7) atom to form distorted VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent Fe(1)S6 octahedra, corners with two equivalent Fe(2)S6 octahedra,  an edgeedge with one V(2)S6 octahedra,  an edgeedge with one V(5)S6 octahedra,  an edgeedge with one V(8)S6 octahedra,  an edgeedge with one Fe(4)S6 octahedra, edges with two equivalent V(6)S6 octahedra, and  a faceface with one Fe(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the eighth V site, V(8) is bonded to one S(13), one S(14), one S(15), one S(2), one S(3), and one S(6) atom to form distorted VS6 octahedra that share corners with two equivalent Fe(1)S6 octahedra, corners with two equivalent Fe(2)S6 octahedra, corners with two equivalent Fe(3)S6 octahedra,  an edgeedge with one V(3)S6 octahedra,  an edgeedge with one V(4)S6 octahedra,  an edgeedge with one V(6)S6 octahedra,  an edgeedge with one V(7)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and  a faceface with one Fe(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one S(1), one S(11), one S(12), one S(13), one S(3), and one S(7) atom to form FeS6 octahedra that share corners with two equivalent V(2)S6 octahedra, corners with two equivalent V(5)S6 octahedra, corners with two equivalent V(6)S6 octahedra, corners with two equivalent V(7)S6 octahedra, corners with two equivalent V(8)S6 octahedra, corners with two equivalent Fe(4)S6 octahedra,  an edgeedge with one V(1)S6 octahedra,  an edgeedge with one Fe(2)S6 octahedra,  a faceface with one V(6)S6 octahedra, and  a faceface with one V(7)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Fe site, Fe(2) is bonded to one S(11), one S(14), one S(15), one S(2), one S(3), and one S(6) atom to form FeS6 octahedra that share corners with two equivalent V(2)S6 octahedra, corners with two equivalent V(3)S6 octahedra, corners with two equivalent V(4)S6 octahedra, corners with two equivalent V(6)S6 octahedra, corners with two equivalent V(7)S6 octahedra, corners with two equivalent V(8)S6 octahedra,  an edgeedge with one Fe(1)S6 octahedra,  an edgeedge with one Fe(3)S6 octahedra,  a faceface with one V(2)S6 octahedra, and  a faceface with one V(8)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third Fe site, Fe(3) is bonded to one S(10), one S(14), one S(16), one S(4), one S(5), and one S(6) atom to form FeS6 octahedra that share corners with two equivalent V(2)S6 octahedra, corners with two equivalent V(3)S6 octahedra, corners with two equivalent V(4)S6 octahedra, corners with two equivalent V(5)S6 octahedra, corners with two equivalent V(8)S6 octahedra, corners with two equivalent Fe(4)S6 octahedra,  an edgeedge with one V(1)S6 octahedra,  an edgeedge with one Fe(2)S6 octahedra,  a faceface with one V(3)S6 octahedra, and  a faceface with one V(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the fourth Fe site, Fe(4) is bonded to one S(1), one S(10), one S(5), one S(7), one S(8), and one S(9) atom to form distorted FeS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent Fe(1)S6 octahedra, corners with two equivalent Fe(3)S6 octahedra,  an edgeedge with one V(3)S6 octahedra,  an edgeedge with one V(4)S6 octahedra,  an edgeedge with one V(6)S6 octahedra,  an edgeedge with one V(7)S6 octahedra, edges with two equivalent V(5)S6 octahedra, and  a faceface with one V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-56°. There are sixteen inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one V(1), one V(6), one V(7), one Fe(1), and one Fe(4) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one V(2), one V(3), one V(8), and one Fe(2) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one V(2), one V(6), one V(8), one Fe(1), and one Fe(2) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one V(2), one V(3), one V(4), and one Fe(3) atom. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one V(3), one V(4), one Fe(3), and one Fe(4) atom. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to one V(3), one V(4), one V(8), one Fe(2), and one Fe(3) atom. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to one V(1), one V(5), one V(7), one Fe(1), and one Fe(4) atom. In the eighth S site, S(8) is bonded in a distorted trigonal pyramidal geometry to one V(1), one V(4), one V(5), and one Fe(4) atom. In the ninth S site, S(9) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one V(5), one V(6), and one Fe(4) atom. In the tenth S site, S(10) is bonded in a 5-coordinate geometry to one V(1), one V(3), one V(5), one Fe(3), and one Fe(4) atom. In the eleventh S site, S(11) is bonded in a 5-coordinate geometry to one V(2), one V(6), one V(7), one Fe(1), and one Fe(2) atom. In the twelfth S site, S(12) is bonded in a 4-coordinate geometry to one V(5), one V(6), one V(7), and one Fe(1) atom. In the thirteenth S site, S(13) is bonded in a distorted rectangular see-saw-like geometry to one V(6), one V(7), one V(8), and one Fe(1) atom. In the fourteenth S site, S(14) is bonded in a 5-coordinate geometry to one V(2), one V(4), one V(8), one Fe(2), and one Fe(3) atom. In the fifteenth S site, S(15) is bonded in a distorted rectangular see-saw-like geometry to one V(2), one V(7), one V(8), and one Fe(2) atom. In the sixteenth S site, S(16) is bonded in a 5-coordinate geometry to one V(1), one V(3), one V(4), one V(5), and one Fe(3) atom. is represented by the CIF card [CIF]
data_V2FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.824
_cell_length_b   11.225
_cell_length_c   6.267
_cell_angle_alpha   89.658
_cell_angle_beta   74.883
_cell_angle_gamma   31.183
_symmetry_Int_Tables_number   1
_cell_volume   406.182
_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
  V  V0  1  0.000  0.998  0.997  1.0
  V  V1  1  0.202  0.314  0.521  1.0
  V  V2  1  0.048  0.684  0.481  1.0
  V  V3  1  0.445  0.310  0.517  1.0
  V  V4  1  0.705  0.316  0.518  1.0
  V  V5  1  0.551  0.690  0.483  1.0
  V  V6  1  0.946  0.316  0.522  1.0
  V  V7  1  0.799  0.688  0.478  1.0
  Fe  Fe8  1  0.242  0.000  0.002  1.0
  Fe  Fe9  1  0.500  0.999  0.997  1.0
  Fe  Fe10  1  0.760  0.002  1.000  1.0
  Fe  Fe11  1  0.305  0.680  0.478  1.0
  S  S12  1  0.144  0.022  0.720  1.0
  S  S13  1  0.148  0.434  0.206  1.0
  S  S14  1  0.390  0.025  0.733  1.0
  S  S15  1  0.101  0.566  0.796  1.0
  S  S16  1  0.395  0.440  0.213  1.0
  S  S17  1  0.640  0.023  0.737  1.0
  S  S18  1  0.109  0.975  0.284  1.0
  S  S19  1  0.364  0.550  0.778  1.0
  S  S20  1  0.635  0.450  0.219  1.0
  S  S21  1  0.899  0.015  0.714  1.0
  S  S22  1  0.357  0.980  0.269  1.0
  S  S23  1  0.599  0.568  0.795  1.0
  S  S24  1  0.896  0.437  0.208  1.0
  S  S25  1  0.612  0.974  0.265  1.0
  S  S26  1  0.854  0.563  0.789  1.0
  S  S27  1  0.853  0.980  0.282  1.0
[/CIF]
.
The structure described by FeV2S4 crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one S(1), one S(10), one S(16), one S(7), one S(8), and one S(9) atom to form VS6 octahedra that share corners with two equivalent V(3)S6 octahedra, corners with two equivalent V(4)S6 octahedra, corners with two equivalent V(5)S6 octahedra, corners with two equivalent V(6)S6 octahedra, corners with two equivalent V(7)S6 octahedra, corners with two equivalent Fe(4)S6 octahedra,  an edgeedge with one Fe(1)S6 octahedra,  an edgeedge with one Fe(3)S6 octahedra,  a faceface with one V(5)S6 octahedra, and  a faceface with one Fe(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the second V site, V(2) is bonded to one S(11), one S(14), one S(15), one S(2), one S(3), and one S(4) atom to form distorted VS6 octahedra that share corners with two equivalent Fe(1)S6 octahedra, corners with two equivalent Fe(2)S6 octahedra, corners with two equivalent Fe(3)S6 octahedra,  an edgeedge with one V(3)S6 octahedra,  an edgeedge with one V(4)S6 octahedra,  an edgeedge with one V(6)S6 octahedra,  an edgeedge with one V(7)S6 octahedra, edges with two equivalent V(8)S6 octahedra, and  a faceface with one Fe(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the third V site, V(3) is bonded to one S(10), one S(16), one S(2), one S(4), one S(5), and one S(6) atom to form distorted VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent Fe(2)S6 octahedra, corners with two equivalent Fe(3)S6 octahedra,  an edgeedge with one V(2)S6 octahedra,  an edgeedge with one V(5)S6 octahedra,  an edgeedge with one V(8)S6 octahedra,  an edgeedge with one Fe(4)S6 octahedra, edges with two equivalent V(4)S6 octahedra, and  a faceface with one Fe(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the fourth V site, V(4) is bonded to one S(14), one S(16), one S(4), one S(5), one S(6), and one S(8) atom to form distorted VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent Fe(2)S6 octahedra, corners with two equivalent Fe(3)S6 octahedra,  an edgeedge with one V(2)S6 octahedra,  an edgeedge with one V(5)S6 octahedra,  an edgeedge with one V(8)S6 octahedra,  an edgeedge with one Fe(4)S6 octahedra, edges with two equivalent V(3)S6 octahedra, and  a faceface with one Fe(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the fifth V site, V(5) is bonded to one S(10), one S(12), one S(16), one S(7), one S(8), and one S(9) atom to form distorted VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent Fe(1)S6 octahedra, corners with two equivalent Fe(3)S6 octahedra,  an edgeedge with one V(3)S6 octahedra,  an edgeedge with one V(4)S6 octahedra,  an edgeedge with one V(6)S6 octahedra,  an edgeedge with one V(7)S6 octahedra, edges with two equivalent Fe(4)S6 octahedra, and  a faceface with one V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the sixth V site, V(6) is bonded to one S(1), one S(11), one S(12), one S(13), one S(3), and one S(9) atom to form distorted VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent Fe(1)S6 octahedra, corners with two equivalent Fe(2)S6 octahedra,  an edgeedge with one V(2)S6 octahedra,  an edgeedge with one V(5)S6 octahedra,  an edgeedge with one V(8)S6 octahedra,  an edgeedge with one Fe(4)S6 octahedra, edges with two equivalent V(7)S6 octahedra, and  a faceface with one Fe(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the seventh V site, V(7) is bonded to one S(1), one S(11), one S(12), one S(13), one S(15), and one S(7) atom to form distorted VS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent Fe(1)S6 octahedra, corners with two equivalent Fe(2)S6 octahedra,  an edgeedge with one V(2)S6 octahedra,  an edgeedge with one V(5)S6 octahedra,  an edgeedge with one V(8)S6 octahedra,  an edgeedge with one Fe(4)S6 octahedra, edges with two equivalent V(6)S6 octahedra, and  a faceface with one Fe(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the eighth V site, V(8) is bonded to one S(13), one S(14), one S(15), one S(2), one S(3), and one S(6) atom to form distorted VS6 octahedra that share corners with two equivalent Fe(1)S6 octahedra, corners with two equivalent Fe(2)S6 octahedra, corners with two equivalent Fe(3)S6 octahedra,  an edgeedge with one V(3)S6 octahedra,  an edgeedge with one V(4)S6 octahedra,  an edgeedge with one V(6)S6 octahedra,  an edgeedge with one V(7)S6 octahedra, edges with two equivalent V(2)S6 octahedra, and  a faceface with one Fe(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one S(1), one S(11), one S(12), one S(13), one S(3), and one S(7) atom to form FeS6 octahedra that share corners with two equivalent V(2)S6 octahedra, corners with two equivalent V(5)S6 octahedra, corners with two equivalent V(6)S6 octahedra, corners with two equivalent V(7)S6 octahedra, corners with two equivalent V(8)S6 octahedra, corners with two equivalent Fe(4)S6 octahedra,  an edgeedge with one V(1)S6 octahedra,  an edgeedge with one Fe(2)S6 octahedra,  a faceface with one V(6)S6 octahedra, and  a faceface with one V(7)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Fe site, Fe(2) is bonded to one S(11), one S(14), one S(15), one S(2), one S(3), and one S(6) atom to form FeS6 octahedra that share corners with two equivalent V(2)S6 octahedra, corners with two equivalent V(3)S6 octahedra, corners with two equivalent V(4)S6 octahedra, corners with two equivalent V(6)S6 octahedra, corners with two equivalent V(7)S6 octahedra, corners with two equivalent V(8)S6 octahedra,  an edgeedge with one Fe(1)S6 octahedra,  an edgeedge with one Fe(3)S6 octahedra,  a faceface with one V(2)S6 octahedra, and  a faceface with one V(8)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third Fe site, Fe(3) is bonded to one S(10), one S(14), one S(16), one S(4), one S(5), and one S(6) atom to form FeS6 octahedra that share corners with two equivalent V(2)S6 octahedra, corners with two equivalent V(3)S6 octahedra, corners with two equivalent V(4)S6 octahedra, corners with two equivalent V(5)S6 octahedra, corners with two equivalent V(8)S6 octahedra, corners with two equivalent Fe(4)S6 octahedra,  an edgeedge with one V(1)S6 octahedra,  an edgeedge with one Fe(2)S6 octahedra,  a faceface with one V(3)S6 octahedra, and  a faceface with one V(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the fourth Fe site, Fe(4) is bonded to one S(1), one S(10), one S(5), one S(7), one S(8), and one S(9) atom to form distorted FeS6 octahedra that share corners with two equivalent V(1)S6 octahedra, corners with two equivalent Fe(1)S6 octahedra, corners with two equivalent Fe(3)S6 octahedra,  an edgeedge with one V(3)S6 octahedra,  an edgeedge with one V(4)S6 octahedra,  an edgeedge with one V(6)S6 octahedra,  an edgeedge with one V(7)S6 octahedra, edges with two equivalent V(5)S6 octahedra, and  a faceface with one V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-56°. There are sixteen inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to one V(1), one V(6), one V(7), one Fe(1), and one Fe(4) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one V(2), one V(3), one V(8), and one Fe(2) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one V(2), one V(6), one V(8), one Fe(1), and one Fe(2) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one V(2), one V(3), one V(4), and one Fe(3) atom. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one V(3), one V(4), one Fe(3), and one Fe(4) atom. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to one V(3), one V(4), one V(8), one Fe(2), and one Fe(3) atom. In the seventh S site, S(7) is bonded in a 5-coordinate geometry to one V(1), one V(5), one V(7), one Fe(1), and one Fe(4) atom. In the eighth S site, S(8) is bonded in a distorted trigonal pyramidal geometry to one V(1), one V(4), one V(5), and one Fe(4) atom. In the ninth S site, S(9) is bonded in a distorted rectangular see-saw-like geometry to one V(1), one V(5), one V(6), and one Fe(4) atom. In the tenth S site, S(10) is bonded in a 5-coordinate geometry to one V(1), one V(3), one V(5), one Fe(3), and one Fe(4) atom. In the eleventh S site, S(11) is bonded in a 5-coordinate geometry to one V(2), one V(6), one V(7), one Fe(1), and one Fe(2) atom. In the twelfth S site, S(12) is bonded in a 4-coordinate geometry to one V(5), one V(6), one V(7), and one Fe(1) atom. In the thirteenth S site, S(13) is bonded in a distorted rectangular see-saw-like geometry to one V(6), one V(7), one V(8), and one Fe(1) atom. In the fourteenth S site, S(14) is bonded in a 5-coordinate geometry to one V(2), one V(4), one V(8), one Fe(2), and one Fe(3) atom. In the fifteenth S site, S(15) is bonded in a distorted rectangular see-saw-like geometry to one V(2), one V(7), one V(8), and one Fe(2) atom. In the sixteenth S site, S(16) is bonded in a 5-coordinate geometry to one V(1), one V(3), one V(4), one V(5), and one Fe(3) atom. is represented by the CIF card [CIF]
data_V2FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.824
_cell_length_b   11.225
_cell_length_c   6.267
_cell_angle_alpha   89.658
_cell_angle_beta   74.883
_cell_angle_gamma   31.183
_symmetry_Int_Tables_number   1
_cell_volume   406.182
_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
  V  V0  1  0.000  0.998  0.997  1.0
  V  V1  1  0.202  0.314  0.521  1.0
  V  V2  1  0.048  0.684  0.481  1.0
  V  V3  1  0.445  0.310  0.517  1.0
  V  V4  1  0.705  0.316  0.518  1.0
  V  V5  1  0.551  0.690  0.483  1.0
  V  V6  1  0.946  0.316  0.522  1.0
  V  V7  1  0.799  0.688  0.478  1.0
  Fe  Fe8  1  0.242  0.000  0.002  1.0
  Fe  Fe9  1  0.500  0.999  0.997  1.0
  Fe  Fe10  1  0.760  0.002  1.000  1.0
  Fe  Fe11  1  0.305  0.680  0.478  1.0
  S  S12  1  0.144  0.022  0.720  1.0
  S  S13  1  0.148  0.434  0.206  1.0
  S  S14  1  0.390  0.025  0.733  1.0
  S  S15  1  0.101  0.566  0.796  1.0
  S  S16  1  0.395  0.440  0.213  1.0
  S  S17  1  0.640  0.023  0.737  1.0
  S  S18  1  0.109  0.975  0.284  1.0
  S  S19  1  0.364  0.550  0.778  1.0
  S  S20  1  0.635  0.450  0.219  1.0
  S  S21  1  0.899  0.015  0.714  1.0
  S  S22  1  0.357  0.980  0.269  1.0
  S  S23  1  0.599  0.568  0.795  1.0
  S  S24  1  0.896  0.437  0.208  1.0
  S  S25  1  0.612  0.974  0.265  1.0
  S  S26  1  0.854  0.563  0.789  1.0
  S  S27  1  0.853  0.980  0.282  1.0
[/CIF]
.