# generated using pymatgen
data_V2CoH36C36S4(NO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50631392
_cell_length_b   11.11341965
_cell_length_c   11.35806687
_cell_angle_alpha   90.95660384
_cell_angle_beta   111.15410227
_cell_angle_gamma   89.47074096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CoH36C36S4(NO8)2
_chemical_formula_sum   'V2 Co1 H36 C36 S4 N2 O16'
_cell_volume   1001.22568756
_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  0.82263077  0.83707974  0.92920925  1
  V  V1  1  0.17736421  0.16292801  0.07078842  1
  Co  Co2  1  0.49999451  -0.00000466  -0.00000603  1
  H  H3  1  0.91790229  0.01592889  0.82783521  1
  H  H4  1  0.08208094  0.98407720  0.17216003  1
  H  H5  1  0.80099861  0.93481552  0.71361869  1
  H  H6  1  0.19899469  0.06518238  0.28637793  1
  H  H7  1  0.67095310  0.52787622  0.07337401  1
  H  H8  1  0.32908739  0.47213914  0.92663320  1
  H  H9  1  0.58741810  0.35722546  0.17533483  1
  H  H10  1  0.41261808  0.64277954  0.82465863  1
  H  H11  1  0.48750815  0.39605066  0.35419664  1
  H  H12  1  0.51250123  0.60393925  0.64578480  1
  H  H13  1  0.47916352  0.60667739  0.43235407  1
  H  H14  1  0.52084809  0.39330790  0.56764383  1
  H  H15  1  0.10693259  0.87152411  0.70278339  1
  H  H16  1  0.89306497  0.12847796  0.29722027  1
  H  H17  1  0.87809925  0.86236120  0.49203146  1
  H  H18  1  0.12189749  0.13763627  0.50797167  1
  H  H19  1  0.94778234  0.83284415  0.29885918  1
  H  H20  1  0.05221824  0.16714738  0.70114597  1
  H  H21  1  0.24797551  0.81393108  0.31773298  1
  H  H22  1  0.75202602  0.18605888  0.68227426  1
  H  H23  1  0.76505021  0.19334957  0.00990063  1
  H  H24  1  0.23492160  0.80664774  0.99008157  1
  H  H25  1  0.90916922  0.70941673  0.70392806  1
  H  H26  1  0.09083952  0.29058039  0.29606164  1
  H  H27  1  0.93623969  0.57890726  0.57127371  1
  H  H28  1  0.06374635  0.42108360  0.42872782  1
  H  H29  1  0.83290877  0.43854243  0.56723974  1
  H  H30  1  0.16707699  0.56144914  0.43277297  1
  H  H31  1  0.05661776  0.44755345  0.63881484  1
  H  H32  1  0.94337223  0.55243814  0.36119192  1
  H  H33  1  0.80797245  0.43098277  0.84926924  1
  H  H34  1  0.19203270  0.56902961  0.15075208  1
  H  H35  1  0.03138788  0.44106435  0.91909704  1
  H  H36  1  0.96862052  0.55893423  0.08090813  1
  H  H37  1  0.93849735  0.34665325  0.78405308  1
  H  H38  1  0.06148468  0.65334974  0.21595576  1
  C  C39  1  0.56335799  0.68533100  0.29336913  1
  C  C40  1  0.43665196  0.31466657  0.70663478  1
  C  C41  1  0.61330919  0.66411610  0.18871606  1
  C  C42  1  0.38670613  0.33589039  0.81128816  1
  C  C43  1  0.62606483  0.54466977  0.15077654  1
  C  C44  1  0.37396412  0.45533906  0.84922589  1
  C  C45  1  0.58081112  0.44871026  0.20918957  1
  C  C46  1  0.41921670  0.55129342  0.79080498  1
  C  C47  1  0.52615854  0.47065530  0.30983818  1
  C  C48  1  0.47385750  0.52933862  0.69015152  1
  C  C49  1  0.51994640  0.58827869  0.35311664  1
  C  C50  1  0.48006404  0.41171218  0.64687960  1
  C  C51  1  0.65194537  0.76394739  0.11713084  1
  C  C52  1  0.34806065  0.23606717  0.88287700  1
  C  C53  1  0.34646664  0.83195907  0.52146757  1
  C  C54  1  0.65353244  0.16803435  0.47853893  1
  C  C55  1  0.30821729  0.84577865  0.63223681  1
  C  C56  1  0.69178078  0.15422061  0.36776829  1
  C  C57  1  0.13801105  0.85725261  0.61853522  1
  C  C58  1  0.86198665  0.14274705  0.38146911  1
  C  C59  1  0.00930283  0.85217330  0.50009281  1
  C  C60  1  0.99069472  0.14782360  0.49991082  1
  C  C61  1  0.04848952  0.83645150  0.39169001  1
  C  C62  1  0.95151043  0.16354168  0.60831484  1
  C  C63  1  0.21687909  0.82606729  0.40232576  1
  C  C64  1  0.78312138  0.17392386  0.59768095  1
  C  C65  1  0.43725271  0.84991279  0.76417294  1
  C  C66  1  0.56274238  0.15009338  0.23583129  1
  C  C67  1  0.81014516  0.11518134  0.97049355  1
  C  C68  1  0.18983851  0.88481545  0.02949686  1
  C  C69  1  0.91422134  0.64243649  0.77594124  1
  C  C70  1  0.08577198  0.35756907  0.22405426  1
  C  C71  1  0.93816584  0.49644155  0.62324458  1
  C  C72  1  0.06182403  0.50355092  0.37676153  1
  C  C73  1  0.92512481  0.43164489  0.82921638  1
  C  C74  1  0.07487299  0.56836113  0.17079381  1
  S  S75  1  0.55908760  0.83124456  0.35168242  1
  S  S76  1  0.44091793  0.16874941  0.64832826  1
  S  S77  1  0.55697393  0.82234384  0.53307842  1
  S  S78  1  0.44302827  0.17764335  0.46692856  1
  N  N79  1  0.92379104  0.52799096  0.74367533  1
  N  N80  1  0.07620419  0.47201063  0.25633010  1
  O  O81  1  0.74690758  0.73922490  0.05492655  1
  O  O82  1  0.25309130  0.26079729  0.94507405  1
  O  O83  1  0.58939010  0.86705651  0.12357932  1
  O  O84  1  0.41061609  0.13295500  0.87643689  1
  O  O85  1  0.58936389  0.82175405  0.77975762  1
  O  O86  1  0.41063230  0.17825872  0.22025072  1
  O  O87  1  0.38531311  0.87644010  0.85340297  1
  O  O88  1  0.61467593  0.12356416  0.14659913  1
  O  O89  1  0.74011644  0.01371377  0.96999651  1
  O  O90  1  0.25987979  0.98627753  0.03000191  1
  O  O91  1  0.92898904  0.13075550  0.92893564  1
  O  O92  1  0.07099144  0.86924811  0.07105224  1
  O  O93  1  0.91166591  0.67362746  0.88257942  1
  O  O94  1  0.08830779  0.32638981  0.11740629  1
  O  O95  1  0.90141188  0.93208831  0.79067032  1
  O  O96  1  0.09857604  0.06791437  0.20933041  1
