# generated using pymatgen
data_VH23C19S(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59337864
_cell_length_b   11.61404934
_cell_length_c   12.88019889
_cell_angle_alpha   85.79740406
_cell_angle_beta   78.99821450
_cell_angle_gamma   73.73950063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VH23C19S(NO)6
_chemical_formula_sum   'V2 H46 C38 S2 N12 O12'
_cell_volume   1211.12332028
_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
  V  V0  1  0.05417620  0.26472454  0.69925474  1
  V  V1  1  0.94582585  0.73527344  0.30074471  1
  H  H2  1  0.84904438  0.27710827  0.55647164  1
  H  H3  1  0.15095963  0.72288835  0.44352730  1
  H  H4  1  0.72748148  0.26469617  0.66376104  1
  H  H5  1  0.27251696  0.73530450  0.33623696  1
  H  H6  1  0.21338727  0.41486892  0.62077826  1
  H  H7  1  0.78660358  0.58513070  0.37921911  1
  H  H8  1  0.37102113  0.96376382  0.21554634  1
  H  H9  1  0.62898820  0.03623514  0.78445704  1
  H  H10  1  0.32831248  0.24848046  0.97959549  1
  H  H11  1  0.67168631  0.75151814  0.02040773  1
  H  H12  1  0.52555731  0.27671827  0.25697382  1
  H  H13  1  0.47444981  0.72328280  0.74302573  1
  H  H14  1  0.55192072  0.96393900  0.34300556  1
  H  H15  1  0.44808699  0.03606543  0.65700044  1
  H  H16  1  0.58713607  0.10204748  0.37509076  1
  H  H17  1  0.41285644  0.89796049  0.62491548  1
  H  H18  1  0.21062166  0.08632048  0.96552344  1
  H  H19  1  0.78938339  0.91367706  0.03448019  1
  H  H20  1  0.35342219  0.95036246  0.99750988  1
  H  H21  1  0.64658023  0.04963448  0.00249515  1
  H  H22  1  0.53869313  0.42136267  0.11182132  1
  H  H23  1  0.46130672  0.57863927  0.88817944  1
  H  H24  1  0.48677086  0.39586543  0.98768714  1
  H  H25  1  0.51323364  0.60413387  0.01231342  1
  H  H26  1  0.26568219  0.92521201  0.41770321  1
  H  H27  1  0.73431766  0.07479126  0.58229020  1
  H  H28  1  0.03484224  0.01975700  0.58544122  1
  H  H29  1  0.96515948  0.98023413  0.41455812  1
  H  H30  1  0.36951864  0.23651228  0.51284339  1
  H  H31  1  0.63047943  0.76348362  0.48716550  1
  H  H32  1  0.91923004  0.14778329  0.09629468  1
  H  H33  1  0.08077360  0.85221781  0.90370573  1
  H  H34  1  0.75793479  0.01192702  0.22695719  1
  H  H35  1  0.24206219  0.98807758  0.77304130  1
  H  H36  1  0.25843673  0.80973218  0.14295071  1
  H  H37  1  0.74155754  0.19026547  0.85705287  1
  H  H38  1  0.19327323  0.49978538  0.95132287  1
  H  H39  1  0.80673413  0.50021451  0.04867181  1
  H  H40  1  0.93490540  0.66247170  0.06141115  1
  H  H41  1  0.06510121  0.33753031  0.93857877  1
  H  H42  1  0.29801674  0.53459220  0.25636353  1
  H  H43  1  0.70198082  0.46541307  0.74363290  1
  H  H44  1  0.06905698  0.37034166  0.46083652  1
  H  H45  1  0.93093591  0.62965620  0.53915740  1
  H  H46  1  0.18694446  0.47436573  0.46116408  1
  H  H47  1  0.81305015  0.52563199  0.53883054  1
  C  C48  1  0.45332990  0.11424907  0.24673580  1
  C  C49  1  0.54667451  0.88575249  0.75326598  1
  C  C50  1  0.38315153  0.05274860  0.18787132  1
  C  C51  1  0.61685647  0.94725021  0.81213062  1
  C  C52  1  0.33500421  0.10026673  0.09254907  1
  C  C53  1  0.66500003  0.89973149  0.90745396  1
  C  C54  1  0.36093201  0.21082712  0.05570424  1
  C  C55  1  0.63906949  0.78917221  0.94429863  1
  C  C56  1  0.43150917  0.27386269  0.11325953  1
  C  C57  1  0.56849398  0.72613731  0.88674146  1
  C  C58  1  0.47283689  0.22678713  0.21047035  1
  C  C59  1  0.52716952  0.77321355  0.78952998  1
  C  C60  1  0.49964179  0.06121344  0.35052351  1
  C  C61  1  0.50035691  0.93879082  0.64948016  1
  C  C62  1  0.26060431  0.03095826  0.03043331  1
  C  C63  1  0.73939908  0.96903947  0.96957079  1
  C  C64  1  0.45012052  0.39546825  0.07376112  1
  C  C65  1  0.54988140  0.60453165  0.92623913  1
  C  C66  1  0.25143789  0.00648644  0.45972122  1
  C  C67  1  0.74855888  0.99351468  0.54027563  1
  C  C68  1  0.13526938  0.05497265  0.54418157  1
  C  C69  1  0.86472808  0.94502287  0.45581750  1
  C  C70  1  0.30605235  0.16810074  0.50802994  1
  C  C71  1  0.69394349  0.83189720  0.49197544  1
  C  C72  1  0.96885219  0.05712868  0.12565061  1
  C  C73  1  0.03114863  0.94287269  0.87435081  1
  C  C74  1  0.88859331  0.98824539  0.19365656  1
  C  C75  1  0.11140403  0.01175676  0.80634275  1
  C  C76  1  0.14324832  0.88065218  0.14706134  1
  C  C77  1  0.85674822  0.11934735  0.85294036  1
  C  C78  1  0.17857239  0.53072589  0.03133823  1
  C  C79  1  0.82143306  0.46927510  0.96865638  1
  C  C80  1  0.04891679  0.61229114  0.08704468  1
  C  C81  1  0.95108766  0.38771134  0.91294771  1
  C  C82  1  0.23311782  0.54680846  0.18975509  1
  C  C83  1  0.76688086  0.45319453  0.81024105  1
  C  C84  1  0.07687021  0.44806038  0.50167046  1
  C  C85  1  0.92312480  0.55193659  0.49832391  1
  S  S86  1  0.40683430  0.30580988  0.73505747  1
  S  S87  1  0.59316159  0.69419065  0.26494484  1
  N  N88  1  0.16915447  0.15672577  0.57408014  1
  N  N89  1  0.83084053  0.84326904  0.42592285  1
  N  N90  1  0.36161467  0.07568460  0.43990033  1
  N  N91  1  0.63837983  0.92431797  0.56010025  1
  N  N92  1  0.99825870  0.87757916  0.20787976  1
  N  N93  1  0.00173618  0.12242263  0.79212079  1
  N  N94  1  0.12692702  0.98699304  0.09265653  1
  N  N95  1  0.87307388  0.01300705  0.90734654  1
  N  N96  1  0.08403057  0.62248517  0.18602198  1
  N  N97  1  0.91596820  0.37751773  0.81397212  1
  N  N98  1  0.29679820  0.49326534  0.09493118  1
  N  N99  1  0.70320248  0.50673418  0.90506665  1
  O  O100  1  0.27382143  0.23780581  0.75144759  1
  O  O101  1  0.72617434  0.76219380  0.24855746  1
  O  O102  1  0.83142810  0.29079467  0.63204567  1
  O  O103  1  0.16857119  0.70920498  0.36795288  1
  O  O104  1  0.57127914  0.21643529  0.70987085  1
  O  O105  1  0.42871688  0.78356643  0.29012819  1
  O  O106  1  0.39354556  0.36974639  0.83141336  1
  O  O107  1  0.60645229  0.63025174  0.16858986  1
  O  O108  1  0.38076156  0.38855311  0.64138564  1
  O  O109  1  0.61922919  0.61144872  0.35861827  1
  O  O110  1  0.09547498  0.41429314  0.60983040  1
  O  O111  1  0.90451983  0.58570352  0.39016411  1
