# generated using pymatgen
data_V2NiH36C36S4(NO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50338527
_cell_length_b   11.10955122
_cell_length_c   11.35370370
_cell_angle_alpha   90.95495874
_cell_angle_beta   111.14573188
_cell_angle_gamma   89.47063886
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2NiH36C36S4(NO8)2
_chemical_formula_sum   'V2 Ni1 H36 C36 S4 N2 O16'
_cell_volume   1000.20518433
_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  0.82356659  0.83805752  0.92970939  1
  V  V1  1  0.17642743  0.16194763  0.07028585  1
  Ni  Ni2  1  0.49999391  0.00000065  -0.00000013  1
  H  H3  1  0.91731887  0.01460634  0.82845000  1
  H  H4  1  0.08266614  0.98540153  0.17154288  1
  H  H5  1  0.80045905  0.93503859  0.71305123  1
  H  H6  1  0.19953210  0.06495955  0.28694406  1
  H  H7  1  0.67066478  0.52872175  0.07345966  1
  H  H8  1  0.32937476  0.47129393  0.92654809  1
  H  H9  1  0.58744987  0.35766017  0.17537852  1
  H  H10  1  0.41258657  0.64234539  0.82461301  1
  H  H11  1  0.48786730  0.39600343  0.35449940  1
  H  H12  1  0.51214332  0.60398765  0.64548447  1
  H  H13  1  0.47878027  0.60715024  0.43275292  1
  H  H14  1  0.52123199  0.39283288  0.56724657  1
  H  H15  1  0.10708862  0.87162509  0.70309938  1
  H  H16  1  0.89290663  0.12837651  0.29690438  1
  H  H17  1  0.87826053  0.86215287  0.49266297  1
  H  H18  1  0.12173564  0.13784427  0.50733985  1
  H  H19  1  0.94728975  0.83305555  0.29901957  1
  H  H20  1  0.05271089  0.16693622  0.70098526  1
  H  H21  1  0.24802414  0.81400791  0.31779026  1
  H  H22  1  0.75197784  0.18597997  0.68221833  1
  H  H23  1  0.76428128  0.19493176  0.01110956  1
  H  H24  1  0.23569003  0.80507285  0.98887359  1
  H  H25  1  0.90862948  0.70974542  0.70425261  1
  H  H26  1  0.09137827  0.29024788  0.29573952  1
  H  H27  1  0.93598930  0.57931410  0.57107685  1
  H  H28  1  0.06399674  0.42067314  0.42892094  1
  H  H29  1  0.83290505  0.43868624  0.56674066  1
  H  H30  1  0.16708155  0.56130366  0.43326954  1
  H  H31  1  0.05657355  0.44785850  0.63823186  1
  H  H32  1  0.94341462  0.55213069  0.36177071  1
  H  H33  1  0.80784859  0.43113701  0.84909396  1
  H  H34  1  0.19215614  0.56887344  0.15092452  1
  H  H35  1  0.03112328  0.44141972  0.91889655  1
  H  H36  1  0.96888344  0.55857780  0.08110781  1
  H  H37  1  0.93864716  0.34656669  0.78397443  1
  H  H38  1  0.06133591  0.65343433  0.21603252  1
  C  C39  1  0.56301256  0.68572422  0.29376626  1
  C  C40  1  0.43699786  0.31427312  0.70623832  1
  C  C41  1  0.61251796  0.66473931  0.18883569  1
  C  C42  1  0.38749860  0.33526721  0.81116989  1
  C  C43  1  0.62588829  0.54541652  0.15089382  1
  C  C44  1  0.37414086  0.45459245  0.84911000  1
  C  C45  1  0.58096270  0.44922817  0.20935694  1
  C  C46  1  0.41906434  0.55077488  0.79063835  1
  C  C47  1  0.52633091  0.47088544  0.31015538  1
  C  C48  1  0.47368411  0.52910900  0.68983518  1
  C  C49  1  0.51975123  0.58859606  0.35354432  1
  C  C50  1  0.48026036  0.41139542  0.64645308  1
  C  C51  1  0.65070485  0.76453953  0.11686837  1
  C  C52  1  0.34929967  0.23547267  0.88313738  1
  C  C53  1  0.34648016  0.83215603  0.52153538  1
  C  C54  1  0.65351937  0.16783790  0.47847209  1
  C  C55  1  0.30869001  0.84647848  0.63246352  1
  C  C56  1  0.69130641  0.15352178  0.36754128  1
  C  C57  1  0.13828710  0.85754034  0.61891036  1
  C  C58  1  0.86170899  0.14245906  0.38109311  1
  C  C59  1  0.00940742  0.85204239  0.50053758  1
  C  C60  1  0.99058901  0.14795462  0.49946550  1
  C  C61  1  0.04823818  0.83634082  0.39185596  1
  C  C62  1  0.95176112  0.16365287  0.60814890  1
  C  C63  1  0.21672987  0.82584480  0.40243489  1
  C  C64  1  0.78327008  0.17414654  0.59757223  1
  C  C65  1  0.43851835  0.85130335  0.76405250  1
  C  C66  1  0.56147447  0.14870479  0.23595276  1
  C  C67  1  0.80507286  0.11474759  0.97123093  1
  C  C68  1  0.19491424  0.88525711  0.02876132  1
  C  C69  1  0.91411425  0.64223327  0.77616059  1
  C  C70  1  0.08588360  0.35776743  0.22383553  1
  C  C71  1  0.93809092  0.49661987  0.62283123  1
  C  C72  1  0.06189879  0.50337101  0.37717346  1
  C  C73  1  0.92499202  0.43152416  0.82901790  1
  C  C74  1  0.07500579  0.56847971  0.17099109  1
  S  S75  1  0.55728146  0.83192226  0.35129457  1
  S  S76  1  0.44272312  0.16807142  0.64871463  1
  S  S77  1  0.55684692  0.82228461  0.53291367  1
  S  S78  1  0.44315440  0.17770170  0.46709416  1
  N  N79  1  0.92366390  0.52782243  0.74336882  1
  N  N80  1  0.07633278  0.47217725  0.25663542  1
  O  O81  1  0.74494496  0.73963569  0.05423071  1
  O  O82  1  0.25505588  0.26038286  0.94576867  1
  O  O83  1  0.58917628  0.86769058  0.12469226  1
  O  O84  1  0.41082661  0.13231973  0.87531857  1
  O  O85  1  0.59018775  0.82234369  0.77949758  1
  O  O86  1  0.40980856  0.17767275  0.22051002  1
  O  O87  1  0.38774379  0.87924674  0.85359798  1
  O  O88  1  0.61224210  0.12075924  0.14640536  1
  O  O89  1  0.72961301  0.01510865  0.96893050  1
  O  O90  1  0.27037901  0.98489144  0.03107199  1
  O  O91  1  0.92608415  0.12614410  0.93107028  1
  O  O92  1  0.07389850  0.87386184  0.06892244  1
  O  O93  1  0.91201975  0.67283125  0.88302622  1
  O  O94  1  0.08796659  0.32718246  0.11696412  1
  O  O95  1  0.90207565  0.93161986  0.78915439  1
  O  O96  1  0.09791290  0.06838361  0.21084551  1
