# generated using pymatgen
data_VCr2H36C36S4(NO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50320856
_cell_length_b   11.10992483
_cell_length_c   11.35457947
_cell_angle_alpha   90.95404438
_cell_angle_beta   111.14346755
_cell_angle_gamma   89.47648847
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2H36C36S4(NO8)2
_chemical_formula_sum   'V1 Cr2 H36 C36 S4 N2 O16'
_cell_volume   1000.31109098
_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
  Cr  Cr0  1  0.82461184  0.83588209  0.92820584  1
  Cr  Cr1  1  0.17536987  0.16412965  0.07178930  1
  V  V2  1  0.50000326  0.00000461  -0.00000078  1
  H  H3  1  0.91754787  0.01235357  0.82960959  1
  H  H4  1  0.08242671  0.98765267  0.17038446  1
  H  H5  1  0.79977024  0.93363576  0.71361340  1
  H  H6  1  0.20022227  0.06635433  0.28638443  1
  H  H7  1  0.67074655  0.52708591  0.07324574  1
  H  H8  1  0.32929322  0.47292844  0.92676107  1
  H  H9  1  0.58631706  0.35684211  0.17540903  1
  H  H10  1  0.41371975  0.64316416  0.82458439  1
  H  H11  1  0.48712982  0.39580292  0.35446539  1
  H  H12  1  0.51288428  0.60418975  0.64551914  1
  H  H13  1  0.47861353  0.60724011  0.43222453  1
  H  H14  1  0.52139957  0.39274656  0.56777315  1
  H  H15  1  0.10727102  0.87071008  0.70278753  1
  H  H16  1  0.89273320  0.12929087  0.29721982  1
  H  H17  1  0.87856056  0.86237194  0.49262196  1
  H  H18  1  0.12144210  0.13762525  0.50738548  1
  H  H19  1  0.94672946  0.83222033  0.29864507  1
  H  H20  1  0.05327320  0.16777016  0.70136328  1
  H  H21  1  0.24731433  0.81392438  0.31669528  1
  H  H22  1  0.75268955  0.18606584  0.68331305  1
  H  H23  1  0.76466572  0.19321438  0.01064660  1
  H  H24  1  0.23530425  0.80679029  0.98933848  1
  H  H25  1  0.90870075  0.71032622  0.70347893  1
  H  H26  1  0.09130610  0.28966897  0.29651449  1
  H  H27  1  0.93598655  0.58034129  0.57205612  1
  H  H28  1  0.06399937  0.41964630  0.42794182  1
  H  H29  1  0.83271181  0.43976020  0.56776629  1
  H  H30  1  0.16727321  0.56023012  0.43224145  1
  H  H31  1  0.05656912  0.44886585  0.63910701  1
  H  H32  1  0.94341860  0.55112344  0.36089446  1
  H  H33  1  0.80774888  0.43195305  0.84985077  1
  H  H34  1  0.19225468  0.56805837  0.15016688  1
  H  H35  1  0.03101264  0.44199262  0.91972684  1
  H  H36  1  0.96899174  0.55800781  0.08027796  1
  H  H37  1  0.93823235  0.34790584  0.78431837  1
  H  H38  1  0.06175180  0.65209452  0.21569002  1
  C  C39  1  0.56420954  0.68517743  0.29371178  1
  C  C40  1  0.43580380  0.31482119  0.70629208  1
  C  C41  1  0.61592473  0.66412436  0.18941027  1
  C  C42  1  0.38409587  0.33588190  0.81059506  1
  C  C43  1  0.62729642  0.54431281  0.15119905  1
  C  C44  1  0.37273623  0.45569527  0.84880498  1
  C  C45  1  0.58080074  0.44859869  0.20927868  1
  C  C46  1  0.41922717  0.55140511  0.79071696  1
  C  C47  1  0.52599624  0.47051559  0.31000561  1
  C  C48  1  0.47402059  0.52948102  0.68998514  1
  C  C49  1  0.51955526  0.58845945  0.35299996  1
  C  C50  1  0.48045745  0.41153408  0.64699705  1
  C  C51  1  0.65652434  0.76189894  0.11739359  1
  C  C52  1  0.34348108  0.23811274  0.88261120  1
  C  C53  1  0.34613605  0.83169013  0.52018354  1
  C  C54  1  0.65386808  0.16830234  0.47982464  1
  C  C55  1  0.30936529  0.84509335  0.63195861  1
  C  C56  1  0.69063785  0.15490586  0.36804813  1
  C  C57  1  0.13870159  0.85681064  0.61869909  1
  C  C58  1  0.86130155  0.14318791  0.38130731  1
  C  C59  1  0.00962878  0.85194469  0.50034745  1
  C  C60  1  0.99037391  0.14805168  0.49965998  1
  C  C61  1  0.04777627  0.83612274  0.39135565  1
  C  C62  1  0.95222671  0.16386982  0.60865247  1
  C  C63  1  0.21615161  0.82577488  0.40138827  1
  C  C64  1  0.78385232  0.17421612  0.59862008  1
  C  C65  1  0.44083575  0.84866816  0.76194619  1
  C  C66  1  0.55915983  0.15134018  0.23806098  1
  C  C67  1  0.80833205  0.11395884  0.97129752  1
  C  C68  1  0.19163655  0.88604631  0.02868697  1
  C  C69  1  0.91218671  0.64357126  0.77549609  1
  C  C70  1  0.08781100  0.35642939  0.22449956  1
  C  C71  1  0.93806925  0.49767468  0.62379053  1
  C  C72  1  0.06191954  0.50231563  0.37621223  1
  C  C73  1  0.92487736  0.43261167  0.82982062  1
  C  C74  1  0.07511972  0.56739181  0.17018786  1
  S  S75  1  0.55839825  0.83187840  0.34970740  1
  S  S76  1  0.44160700  0.16811715  0.65030116  1
  S  S77  1  0.55658028  0.82390480  0.53131247  1
  S  S78  1  0.44342429  0.17608181  0.46869800  1
  N  N79  1  0.92368983  0.52912256  0.74444472  1
  N  N80  1  0.07630735  0.47087646  0.25555934  1
  O  O81  1  0.74977441  0.73648571  0.05435858  1
  O  O82  1  0.25022635  0.26353638  0.94563868  1
  O  O83  1  0.59426364  0.86708407  0.12167741  1
  O  O84  1  0.40573047  0.13292232  0.87832816  1
  O  O85  1  0.59148379  0.81808935  0.77804927  1
  O  O86  1  0.40851632  0.18191936  0.22196142  1
  O  O87  1  0.39149855  0.87884435  0.85335142  1
  O  O88  1  0.60849086  0.12116299  0.14665241  1
  O  O89  1  0.73296017  0.01248541  0.96948207  1
  O  O90  1  0.26701912  0.98751612  0.03051553  1
  O  O91  1  0.92927362  0.12564707  0.93139387  1
  O  O92  1  0.07068363  0.87435808  0.06858093  1
  O  O93  1  0.90607759  0.67513615  0.88167455  1
  O  O94  1  0.09391123  0.32487422  0.11831713  1
  O  O95  1  0.90116421  0.92953764  0.78997728  1
  O  O96  1  0.09882171  0.07046312  0.21002683  1
