# generated using pymatgen
data_V3H36C36S4(NO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50606699
_cell_length_b   11.11363613
_cell_length_c   11.35777924
_cell_angle_alpha   90.94792935
_cell_angle_beta   111.15123174
_cell_angle_gamma   89.47649920
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3H36C36S4(NO8)2
_chemical_formula_sum   'V3 H36 C36 S4 N2 O16'
_cell_volume   1001.21286455
_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
  V  V0  1  0.82725818  0.83640798  0.92949785  1
  V  V1  1  0.17273818  0.16359877  0.07050127  1
  V  V2  1  0.49999586  0.00000321  0.00000083  1
  H  H3  1  0.91669501  0.01448199  0.82647359  1
  H  H4  1  0.08328905  0.98552469  0.17351697  1
  H  H5  1  0.80041900  0.93512292  0.71094042  1
  H  H6  1  0.19957235  0.06487766  0.28905453  1
  H  H7  1  0.67029457  0.52815587  0.07436745  1
  H  H8  1  0.32974405  0.47185970  0.92564138  1
  H  H9  1  0.58689447  0.35728900  0.17594645  1
  H  H10  1  0.41314045  0.64271770  0.82404892  1
  H  H11  1  0.48739482  0.39538875  0.35492358  1
  H  H12  1  0.51261915  0.60460309  0.64506313  1
  H  H13  1  0.47814994  0.60638844  0.43325862  1
  H  H14  1  0.52186230  0.39359715  0.56674117  1
  H  H15  1  0.10570915  0.87122397  0.70271421  1
  H  H16  1  0.89428450  0.12877759  0.29728834  1
  H  H17  1  0.87766389  0.86229600  0.49207038  1
  H  H18  1  0.12233127  0.13770210  0.50792989  1
  H  H19  1  0.94704481  0.83254555  0.29868329  1
  H  H20  1  0.05295343  0.16744543  0.70131984  1
  H  H21  1  0.24761393  0.81408519  0.31758200  1
  H  H22  1  0.75238534  0.18590405  0.68242417  1
  H  H23  1  0.76735725  0.19783992  0.01199276  1
  H  H24  1  0.23262041  0.80216848  0.98799385  1
  H  H25  1  0.90895641  0.70874222  0.70410081  1
  H  H26  1  0.09105047  0.29125252  0.29589260  1
  H  H27  1  0.93587872  0.57874211  0.57071959  1
  H  H28  1  0.06410773  0.42124439  0.42927782  1
  H  H29  1  0.83293765  0.43805434  0.56566225  1
  H  H30  1  0.16704888  0.56193505  0.43434707  1
  H  H31  1  0.05666393  0.44721807  0.63726381  1
  H  H32  1  0.94332338  0.55277011  0.36273739  1
  H  H33  1  0.80790106  0.43071419  0.84850996  1
  H  H34  1  0.19210411  0.56929538  0.15150743  1
  H  H35  1  0.03099191  0.44088449  0.91815091  1
  H  H36  1  0.96901364  0.55911499  0.08185310  1
  H  H37  1  0.93829428  0.34533250  0.78374997  1
  H  H38  1  0.06168963  0.65466733  0.21625759  1
  C  C39  1  0.56286664  0.68515344  0.29493368  1
  C  C40  1  0.43714338  0.31484490  0.70507157  1
  C  C41  1  0.61277093  0.66483406  0.18971173  1
  C  C42  1  0.38724475  0.33517134  0.81029464  1
  C  C43  1  0.62619902  0.54516813  0.15198790  1
  C  C44  1  0.37382972  0.45484040  0.84801715  1
  C  C45  1  0.58091984  0.44899600  0.20993606  1
  C  C46  1  0.41910711  0.55100763  0.79006115  1
  C  C47  1  0.52601292  0.47031195  0.31062015  1
  C  C48  1  0.47400384  0.52968401  0.68937281  1
  C  C49  1  0.51924560  0.58797523  0.35407832  1
  C  C50  1  0.48076611  0.41201805  0.64592072  1
  C  C51  1  0.65298469  0.76213383  0.11679847  1
  C  C52  1  0.34701871  0.23787463  0.88320569  1
  C  C53  1  0.34554544  0.83156924  0.52105751  1
  C  C54  1  0.65445142  0.16842481  0.47894798  1
  C  C55  1  0.30770864  0.84582349  0.63228227  1
  C  C56  1  0.69228575  0.15417678  0.36772144  1
  C  C57  1  0.13711069  0.85705704  0.61865763  1
  C  C58  1  0.86288353  0.14294279  0.38134491  1
  C  C59  1  0.00876601  0.85184300  0.50014806  1
  C  C60  1  0.99123003  0.14815415  0.49985393  1
  C  C61  1  0.04771581  0.83600477  0.39155115  1
  C  C62  1  0.95228199  0.16398890  0.60845222  1
  C  C63  1  0.21608932  0.82553971  0.40207995  1
  C  C64  1  0.78390943  0.17445186  0.59792470  1
  C  C65  1  0.43892807  0.85078547  0.76204270  1
  C  C66  1  0.56106418  0.14922197  0.23796010  1
  C  C67  1  0.80442256  0.11710174  0.97016996  1
  C  C68  1  0.19556565  0.88290437  0.02982701  1
  C  C69  1  0.91563694  0.64107060  0.77611053  1
  C  C70  1  0.08436130  0.35892960  0.22388650  1
  C  C71  1  0.93809387  0.49582108  0.62209745  1
  C  C72  1  0.06189560  0.50416875  0.37790587  1
  C  C73  1  0.92496590  0.43058053  0.82835388  1
  C  C74  1  0.07503215  0.56942242  0.17165439  1
  S  S75  1  0.55817120  0.83171756  0.35088897  1
  S  S76  1  0.44183095  0.16827781  0.64912004  1
  S  S77  1  0.55597128  0.82325242  0.53231170  1
  S  S78  1  0.44402524  0.17673219  0.46769597  1
  N  N79  1  0.92377743  0.52675350  0.74265696  1
  N  N80  1  0.07622076  0.47324506  0.25734667  1
  O  O81  1  0.74745559  0.73727386  0.05541318  1
  O  O82  1  0.25254708  0.26274284  0.94458707  1
  O  O83  1  0.58886631  0.86764553  0.11954024  1
  O  O84  1  0.41112743  0.13235899  0.88046184  1
  O  O85  1  0.58927282  0.82024601  0.77846793  1
  O  O86  1  0.41072046  0.17976508  0.22153549  1
  O  O87  1  0.38960837  0.88236284  0.85316252  1
  O  O88  1  0.61038199  0.11764478  0.14684005  1
  O  O89  1  0.72785840  0.01707073  0.96912010  1
  O  O90  1  0.27213580  0.98293486  0.03088302  1
  O  O91  1  0.92301735  0.12658946  0.92786277  1
  O  O92  1  0.07697633  0.87341579  0.07214092  1
  O  O93  1  0.91601463  0.67147409  0.88367634  1
  O  O94  1  0.08397704  0.32853276  0.11631704  1
  O  O95  1  0.90165876  0.93167688  0.78724934  1
  O  O96  1  0.09833079  0.06832834  0.21274694  1
