# generated using pymatgen
data_VCrH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08247549
_cell_length_b   12.17345808
_cell_length_c   11.39854855
_cell_angle_alpha   79.78281576
_cell_angle_beta   80.92469422
_cell_angle_gamma   70.89033409
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrH40C40(N2O)8
_chemical_formula_sum   'V1 Cr1 H40 C40 N16 O8'
_cell_volume   1036.90788755
_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  0.00000108  0.00000027  -0.00000110  1
  Cr  Cr1  1  0.49999888  0.50000312  0.50000060  1
  H  H2  1  0.22871999  0.43211414  0.83464300  1
  H  H3  1  0.77128170  0.56787944  0.16536023  1
  H  H4  1  0.82256777  0.37334219  0.10742102  1
  H  H5  1  0.17743317  0.62665225  0.89258149  1
  H  H6  1  0.70392405  0.09782800  0.82447040  1
  H  H7  1  0.29607583  0.90217327  0.17552759  1
  H  H8  1  0.66027502  0.10133330  0.19078681  1
  H  H9  1  0.33972819  0.89866844  0.80921065  1
  H  H10  1  0.33894781  0.21034280  0.11681920  1
  H  H11  1  0.66105406  0.78965623  0.88317936  1
  H  H12  1  0.37453388  0.18653074  0.88157904  1
  H  H13  1  0.62546596  0.81346598  0.11842029  1
  H  H14  1  0.08716292  0.15694065  0.76000059  1
  H  H15  1  0.91283130  0.84306464  0.24000235  1
  H  H16  1  0.97359714  0.83817981  0.81308353  1
  H  H17  1  0.02641295  0.16181912  0.18691154  1
  H  H18  1  0.09555507  0.87603668  0.57986638  1
  H  H19  1  0.90445756  0.12396799  0.42012956  1
  H  H20  1  0.14697119  0.08751660  0.54810260  1
  H  H21  1  0.85303227  0.91249029  0.45189924  1
  H  H22  1  0.43096126  0.18857576  0.36400836  1
  H  H23  1  0.56903781  0.81142952  0.63598973  1
  H  H24  1  0.61724761  0.98427686  0.69243705  1
  H  H25  1  0.38275776  0.01572640  0.30755935  1
  H  H26  1  0.36876262  0.69812605  0.28107100  1
  H  H27  1  0.63122808  0.30187903  0.71892952  1
  H  H28  1  0.55725806  0.33479030  0.29346150  1
  H  H29  1  0.44274612  0.66521633  0.70654089  1
  H  H30  1  0.41734455  0.42040027  0.08328423  1
  H  H31  1  0.58265968  0.57960196  0.91671821  1
  H  H32  1  0.30681047  0.65647926  0.07652960  1
  H  H33  1  0.69317482  0.34352221  0.92347427  1
  H  H34  1  0.20389600  0.39480036  0.64858394  1
  H  H35  1  0.79611055  0.60519969  0.35141275  1
  H  H36  1  0.14563075  0.72661075  0.46184074  1
  H  H37  1  0.85435414  0.27339782  0.53816270  1
  H  H38  1  0.82402418  0.71978963  0.56680183  1
  H  H39  1  0.17596673  0.28020430  0.43320137  1
  H  H40  1  0.87925551  0.50707455  0.70106618  1
  H  H41  1  0.12075301  0.49291676  0.29893466  1
  C  C42  1  0.04744862  0.27278644  0.91639586  1
  C  C43  1  0.95255121  0.72721074  0.08360362  1
  C  C44  1  0.02590839  0.38729216  0.96362748  1
  C  C45  1  0.97409065  0.61270358  0.03637389  1
  C  C46  1  0.12564506  0.46102472  0.90677381  1
  C  C47  1  0.87435541  0.53897040  0.09322855  1
  C  C48  1  0.90129634  0.42837637  0.05936067  1
  C  C49  1  0.09870441  0.57161843  0.94064174  1
  C  C50  1  0.62390874  0.11067815  0.10129683  1
  C  C51  1  0.37609388  0.88932223  0.89870081  1
  C  C52  1  0.45837143  0.16536382  0.06327019  1
  C  C53  1  0.54163053  0.83463524  0.93672827  1
  C  C54  1  0.47501545  0.15515229  0.94267478  1
  C  C55  1  0.52498560  0.84484590  0.05732389  1
  C  C56  1  0.01058337  0.91379747  0.76740128  1
  C  C57  1  0.98942437  0.08620338  0.23259550  1
  C  C58  1  0.07115807  0.93432881  0.64756425  1
  C  C59  1  0.92885002  0.06567479  0.35243332  1
  C  C60  1  0.10156566  0.04181153  0.63106772  1
  C  C61  1  0.89843717  0.95819365  0.36893305  1
  C  C62  1  0.55008971  0.20760120  0.57273636  1
  C  C63  1  0.44990922  0.79240260  0.42726361  1
  C  C64  1  0.52316112  0.10171140  0.53440431  1
  C  C65  1  0.47684009  0.89829285  0.46559349  1
  C  C66  1  0.45886390  0.10645923  0.42555031  1
  C  C67  1  0.54113837  0.89354509  0.57444673  1
  C  C68  1  0.56474466  0.99271376  0.60761201  1
  C  C69  1  0.43525881  0.00729032  0.39238477  1
  C  C70  1  0.49208827  0.42570922  0.26088249  1
  C  C71  1  0.50791401  0.57429608  0.73911969  1
  C  C72  1  0.42673009  0.47026584  0.15124003  1
  C  C73  1  0.57326928  0.52973699  0.84876342  1
  C  C74  1  0.36365328  0.59096034  0.14911196  1
  C  C75  1  0.63633744  0.40904195  0.85089138  1
  C  C76  1  0.11450727  0.65507710  0.52230316  1
  C  C77  1  0.88548563  0.34492812  0.47769998  1
  C  C78  1  0.95013428  0.65250833  0.57881996  1
  C  C79  1  0.04986092  0.34748961  0.42118358  1
  C  C80  1  0.97585067  0.54300768  0.64557077  1
  C  C81  1  0.02415214  0.45698777  0.35442889  1
  N  N82  1  0.74028803  0.06838604  0.00736349  1
  N  N83  1  0.25971391  0.93161364  0.99263445  1
  N  N84  1  0.64354538  0.09389975  0.91061904  1
  N  N85  1  0.35645605  0.90609950  0.08937909  1
  N  N86  1  0.00615671  1.00464956  0.82375386  1
  N  N87  1  0.99384585  -0.00464853  0.17624433  1
  N  N88  1  0.06088474  0.08384351  0.73654616  1
  N  N89  1  0.93911607  0.91615874  0.26345527  1
  N  N90  1  0.46591793  0.51482545  0.32543147  1
  N  N91  1  0.53408061  0.48518044  0.67457003  1
  N  N92  1  0.38395374  0.61577779  0.25502048  1
  N  N93  1  0.61603477  0.38422705  0.74498252  1
  N  N94  1  0.23730676  0.55042997  0.55138171  1
  N  N95  1  0.76269192  0.44957700  0.44861895  1
  N  N96  1  0.14855630  0.48382694  0.63013323  1
  N  N97  1  0.85144817  0.51617316  0.36986366  1
  O  O98  1  1.00022104  0.18958791  0.98473954  1
  O  O99  1  -0.00021977  0.81040853  0.01525928  1
  O  O100  1  0.11152338  0.26785929  0.80753699  1
  O  O101  1  0.88847527  0.73214121  0.19246198  1
  O  O102  1  0.48247908  0.31014374  0.51723263  1
  O  O103  1  0.51751924  0.68986016  0.48276769  1
  O  O104  1  0.64191724  0.18569034  0.65990678  1
  O  O105  1  0.35808091  0.81431362  0.34009389  1
