# generated using pymatgen
data_VCoH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05700392
_cell_length_b   12.21980738
_cell_length_c   11.35859357
_cell_angle_alpha   79.70550192
_cell_angle_beta   80.90305325
_cell_angle_gamma   70.74090697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCoH40C40(N2O)8
_chemical_formula_sum   'V1 Co1 H40 C40 N16 O8'
_cell_volume   1032.79526067
_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  -0.00004624  -0.00033808  0.00003516  1
  V  V1  1  0.49999705  0.50000166  0.50000080  1
  H  H2  1  0.23621207  0.43866742  0.83436847  1
  H  H3  1  0.76377314  0.56131838  0.16564509  1
  H  H4  1  0.81804616  0.37147609  0.09279260  1
  H  H5  1  0.18192399  0.62851642  0.90723326  1
  H  H6  1  0.71086695  0.09505733  0.82521411  1
  H  H7  1  0.28910174  0.90501554  0.17476355  1
  H  H8  1  0.66138447  0.09961159  0.19219716  1
  H  H9  1  0.33864807  0.90042400  0.80777435  1
  H  H10  1  0.34043833  0.20888531  0.11684187  1
  H  H11  1  0.65955682  0.79109537  0.88317512  1
  H  H12  1  0.38031035  0.18574915  0.88009124  1
  H  H13  1  0.61964646  0.81423358  0.11992037  1
  H  H14  1  0.09461718  0.15644970  0.76484897  1
  H  H15  1  0.90539473  0.84360845  0.23520279  1
  H  H16  1  0.97360092  0.84102023  0.81968862  1
  H  H17  1  0.02637293  0.15901778  0.18029957  1
  H  H18  1  0.09040836  0.87883086  0.58429879  1
  H  H19  1  0.90961497  0.12119662  0.41569871  1
  H  H20  1  0.14971063  0.08698421  0.55282923  1
  H  H21  1  0.85029782  0.91303994  0.44717138  1
  H  H22  1  0.42709168  0.18904251  0.36526773  1
  H  H23  1  0.57290638  0.81096418  0.63472907  1
  H  H24  1  0.62003635  0.98258495  0.69228893  1
  H  H25  1  0.37996858  0.01742018  0.30770622  1
  H  H26  1  0.36921703  0.69812265  0.28284048  1
  H  H27  1  0.63077591  0.30187740  0.71716137  1
  H  H28  1  0.55940158  0.33445639  0.30024080  1
  H  H29  1  0.44060593  0.66554812  0.69976595  1
  H  H30  1  0.42253709  0.41818010  0.08764565  1
  H  H31  1  0.57747215  0.58181464  0.91235844  1
  H  H32  1  0.31048373  0.65373957  0.07786595  1
  H  H33  1  0.68953413  0.34625198  0.92212159  1
  H  H34  1  0.21168677  0.39347334  0.64442490  1
  H  H35  1  0.78831222  0.60652833  0.35559923  1
  H  H36  1  0.14899756  0.72579118  0.45838750  1
  H  H37  1  0.85098797  0.27421579  0.54162318  1
  H  H38  1  0.82688723  0.71725985  0.56450353  1
  H  H39  1  0.17310442  0.28273739  0.43549971  1
  H  H40  1  0.88440556  0.50384001  0.69707578  1
  H  H41  1  0.11560099  0.49615229  0.30293006  1
  C  C42  1  0.04831253  0.28115096  0.90756452  1
  C  C43  1  0.95171807  0.71881655  0.09243351  1
  C  C44  1  0.02712374  0.39298963  0.95576129  1
  C  C45  1  0.97286541  0.60699028  0.04425630  1
  C  C46  1  0.13082029  0.46560804  0.90632821  1
  C  C47  1  0.86916992  0.53437104  0.09368906  1
  C  C48  1  0.89798303  0.42800735  0.05157479  1
  C  C49  1  0.10200796  0.57197023  0.94844365  1
  C  C50  1  0.62742032  0.10902909  0.10195048  1
  C  C51  1  0.37259499  0.89100097  0.89802607  1
  C  C52  1  0.46084077  0.16446252  0.06327579  1
  C  C53  1  0.53915626  0.83555109  0.93672238  1
  C  C54  1  0.47973317  0.15425766  0.94249189  1
  C  C55  1  0.52024184  0.84575562  0.05750919  1
  C  C56  1  0.00994794  0.91644799  0.77307307  1
  C  C57  1  0.99004674  0.08357730  0.22691057  1
  C  C58  1  0.06985536  0.93611985  0.65234442  1
  C  C59  1  0.93016806  0.06390644  0.34765021  1
  C  C60  1  0.10473147  0.04143680  0.63611827  1
  C  C61  1  0.89528519  0.95858002  0.36388647  1
  C  C62  1  0.54884660  0.20685500  0.57517503  1
  C  C63  1  0.45114892  0.79315312  0.42482151  1
  C  C64  1  0.52257624  0.10165784  0.53533399  1
  C  C65  1  0.47742296  0.89834904  0.46466245  1
  C  C66  1  0.45659703  0.10680737  0.42649722  1
  C  C67  1  0.54340539  0.89319880  0.57349844  1
  C  C68  1  0.56637908  0.99198432  0.60733142  1
  C  C69  1  0.43362467  0.00802156  0.39266379  1
  C  C70  1  0.49295241  0.42465061  0.26651359  1
  C  C71  1  0.50704835  0.57535249  0.73349143  1
  C  C72  1  0.43046881  0.46865683  0.15555687  1
  C  C73  1  0.56953109  0.53134054  0.84444825  1
  C  C74  1  0.36710831  0.58923607  0.15156861  1
  C  C75  1  0.63288494  0.41076272  0.84843167  1
  C  C76  1  0.11829489  0.65479689  0.51991361  1
  C  C77  1  0.88169527  0.34520342  0.48008792  1
  C  C78  1  0.95417079  0.65043871  0.57610990  1
  C  C79  1  0.04582147  0.34955921  0.42389420  1
  C  C80  1  0.98083219  0.54062003  0.64222080  1
  C  C81  1  0.01916732  0.45937737  0.35778333  1
  N  N82  1  0.74434636  0.06651864  0.00888964  1
  N  N83  1  0.25567131  0.93355275  0.99107175  1
  N  N84  1  0.65019989  0.09355968  0.91167536  1
  N  N85  1  0.34978356  0.90647076  0.08830663  1
  N  N86  1  0.00648617  1.00724327  0.82816714  1
  N  N87  1  0.99344776  -0.00721709  0.17180152  1
  N  N88  1  0.06927621  0.08201213  0.74305365  1
  N  N89  1  0.93078045  0.91802487  0.25696277  1
  N  N90  1  0.46385933  0.51494724  0.33054657  1
  N  N91  1  0.53613464  0.48505729  0.66945589  1
  N  N92  1  0.38321818  0.61579583  0.25798244  1
  N  N93  1  0.61676657  0.38420648  0.74201867  1
  N  N94  1  0.24275489  0.55010409  0.54944599  1
  N  N95  1  0.75724116  0.44989801  0.45055496  1
  N  N96  1  0.15473512  0.48239286  0.62773396  1
  N  N97  1  0.84526276  0.51760716  0.37226454  1
  O  O98  1  0.98282541  0.20793846  0.97465117  1
  O  O99  1  0.01727252  0.79200252  0.02530687  1
  O  O100  1  0.12844438  0.26884246  0.80148274  1
  O  O101  1  0.87162350  0.73117582  0.19849567  1
  O  O102  1  0.47764288  0.31090740  0.52254995  1
  O  O103  1  0.52235040  0.68910133  0.47744878  1
  O  O104  1  0.64384949  0.18378887  0.66102229  1
  O  O105  1  0.35615142  0.81621951  0.33897088  1
