# generated using pymatgen
data_VCo2H36C36S4(NO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50157292
_cell_length_b   11.10684507
_cell_length_c   11.34983589
_cell_angle_alpha   90.94333252
_cell_angle_beta   111.13597080
_cell_angle_gamma   89.48074376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCo2H36C36S4(NO8)2
_chemical_formula_sum   'V1 Co2 H36 C36 S4 N2 O16'
_cell_volume   999.47741010
_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
  Co  Co0  1  0.82572430  0.83493943  0.92715259  1
  Co  Co1  1  0.17426728  0.16506723  0.07284442  1
  V  V2  1  0.49999560  0.00000448  0.00000074  1
  H  H3  1  0.91896491  0.00962842  0.83162731  1
  H  H4  1  0.08101661  0.99037948  0.16836299  1
  H  H5  1  0.79979312  0.93224018  0.71641903  1
  H  H6  1  0.20019915  0.06776020  0.28357316  1
  H  H7  1  0.67199720  0.52873504  0.07267627  1
  H  H8  1  0.32804188  0.47127865  0.92733362  1
  H  H9  1  0.58696809  0.35808014  0.17483085  1
  H  H10  1  0.41306770  0.64192494  0.82516452  1
  H  H11  1  0.48771363  0.39708338  0.35369118  1
  H  H12  1  0.51230087  0.60290815  0.64629624  1
  H  H13  1  0.47934268  0.60839962  0.43163923  1
  H  H14  1  0.52067045  0.39158662  0.56836152  1
  H  H15  1  0.10642066  0.87144641  0.70394693  1
  H  H16  1  0.89357237  0.12855529  0.29605595  1
  H  H17  1  0.87866552  0.86222437  0.49338234  1
  H  H18  1  0.12132959  0.13777382  0.50661846  1
  H  H19  1  0.94830657  0.83307242  0.29973026  1
  H  H20  1  0.05169360  0.16691819  0.70027317  1
  H  H21  1  0.24880904  0.81443402  0.31862154  1
  H  H22  1  0.75119255  0.18555359  0.68138595  1
  H  H23  1  0.76540006  0.19299605  0.01260568  1
  H  H24  1  0.23458187  0.80701720  0.98738247  1
  H  H25  1  0.90830450  0.71096237  0.70567645  1
  H  H26  1  0.09170197  0.28903178  0.29431885  1
  H  H27  1  0.93601738  0.58046982  0.57176923  1
  H  H28  1  0.06396707  0.41951632  0.42822732  1
  H  H29  1  0.83269579  0.43988157  0.56742376  1
  H  H30  1  0.16729097  0.56010662  0.43258332  1
  H  H31  1  0.05638580  0.44899308  0.63896488  1
  H  H32  1  0.94360179  0.55099493  0.36103504  1
  H  H33  1  0.80794229  0.43231149  0.85002275  1
  H  H34  1  0.19206320  0.56769768  0.14999432  1
  H  H35  1  0.03099714  0.44245389  0.91948381  1
  H  H36  1  0.96900961  0.55754299  0.08051972  1
  H  H37  1  0.93829062  0.34760525  0.78457045  1
  H  H38  1  0.06169372  0.65239255  0.21543619  1
  C  C39  1  0.56398465  0.68646477  0.29244298  1
  C  C40  1  0.43602432  0.31353283  0.70756167  1
  C  C41  1  0.61461879  0.66512838  0.18769379  1
  C  C42  1  0.38539445  0.33487644  0.81231141  1
  C  C43  1  0.62732374  0.54556082  0.15020882  1
  C  C44  1  0.37270435  0.45444688  0.84979654  1
  C  C45  1  0.58147632  0.44979349  0.20876035  1
  C  C46  1  0.41854992  0.55020870  0.79123757  1
  C  C47  1  0.52673486  0.47178761  0.30943672  1
  C  C48  1  0.47328100  0.52820777  0.69055646  1
  C  C49  1  0.52034282  0.58970310  0.35245206  1
  C  C50  1  0.47966888  0.41028931  0.64754746  1
  C  C51  1  0.65365901  0.76276767  0.11429624  1
  C  C52  1  0.34634437  0.23724152  0.88570793  1
  C  C53  1  0.34646190  0.83152090  0.52193855  1
  C  C54  1  0.65353684  0.16847381  0.47806805  1
  C  C55  1  0.30933148  0.84604096  0.63315186  1
  C  C56  1  0.69066303  0.15395984  0.36685224  1
  C  C57  1  0.13864627  0.85729468  0.62007920  1
  C  C58  1  0.86134774  0.14270522  0.37992334  1
  C  C59  1  0.00986909  0.85183965  0.50150179  1
  C  C60  1  0.99012653  0.14815769  0.49850046  1
  C  C61  1  0.04862421  0.83611082  0.39273939  1
  C  C62  1  0.95137448  0.16388236  0.60726442  1
  C  C63  1  0.21688978  0.82550322  0.40299651  1
  C  C64  1  0.78310981  0.17448839  0.59700975  1
  C  C65  1  0.44198000  0.85118086  0.76254035  1
  C  C66  1  0.55801154  0.14882655  0.23746383  1
  C  C67  1  0.80832159  0.11331614  0.97308761  1
  C  C68  1  0.19166613  0.88669375  0.02690922  1
  C  C69  1  0.91182612  0.64343197  0.77688325  1
  C  C70  1  0.08817493  0.35656661  0.22311521  1
  C  C71  1  0.93789887  0.49786440  0.62364746  1
  C  C72  1  0.06208999  0.50212465  0.37635423  1
  C  C73  1  0.92483013  0.43262846  0.82961025  1
  C  C74  1  0.07516854  0.56737232  0.17039729  1
  S  S75  1  0.55800612  0.83274762  0.34974839  1
  S  S76  1  0.44199559  0.16724773  0.65025879  1
  S  S77  1  0.55631420  0.82285497  0.53151237  1
  S  S78  1  0.44368399  0.17713589  0.46849506  1
  N  N79  1  0.92325417  0.52901563  0.74411828  1
  N  N80  1  0.07674318  0.47098069  0.25588457  1
  O  O81  1  0.74716170  0.73911401  0.05180916  1
  O  O82  1  0.25284162  0.26090011  0.94819428  1
  O  O83  1  0.58802670  0.86736720  0.11943634  1
  O  O84  1  0.41196743  0.13263763  0.88056666  1
  O  O85  1  0.59185095  0.81985800  0.77854109  1
  O  O86  1  0.40814112  0.18015031  0.22146354  1
  O  O87  1  0.39229198  0.88375546  0.85342004  1
  O  O88  1  0.60769637  0.11625488  0.14658281  1
  O  O89  1  0.73130840  0.01248416  0.96846436  1
  O  O90  1  0.26868387  0.98752511  0.03153972  1
  O  O91  1  0.93078621  0.12472935  0.93539868  1
  O  O92  1  0.06920200  0.87528078  0.06459791  1
  O  O93  1  0.90556674  0.67328121  0.88292412  1
  O  O94  1  0.09443192  0.32672362  0.11707193  1
  O  O95  1  0.90258952  0.92717735  0.79165986  1
  O  O96  1  0.09739931  0.07282906  0.20833578  1
