# generated using pymatgen
data_VCrH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08821701
_cell_length_b   12.16648420
_cell_length_c   11.40929322
_cell_angle_alpha   79.80277522
_cell_angle_beta   80.95594765
_cell_angle_gamma   70.90351182
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrH40C40(N2O)8
_chemical_formula_sum   'V1 Cr1 H40 C40 N16 O8'
_cell_volume   1038.22396648
_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  0.00000063  -0.00000032  -0.00000019  1
  V  V1  1  0.49999881  0.50000289  0.50000043  1
  H  H2  1  0.22877401  0.43382843  0.83416454  1
  H  H3  1  0.77122589  0.56617092  0.16583783  1
  H  H4  1  0.82435962  0.37163322  0.10557733  1
  H  H5  1  0.17564245  0.62836508  0.89442572  1
  H  H6  1  0.70029776  0.09619721  0.82778853  1
  H  H7  1  0.29970422  0.90380246  0.17220984  1
  H  H8  1  0.65388844  0.10460411  0.19215309  1
  H  H9  1  0.34611222  0.89539711  0.80784485  1
  H  H10  1  0.33357312  0.21430149  0.11729380  1
  H  H11  1  0.66642776  0.78569718  0.88270393  1
  H  H12  1  0.37121368  0.18874475  0.88241385  1
  H  H13  1  0.62878811  0.81125165  0.11758444  1
  H  H14  1  0.08424811  0.15785446  0.75797970  1
  H  H15  1  0.91575042  0.84214647  0.24202245  1
  H  H16  1  0.97321820  0.83887636  0.80962365  1
  H  H17  1  0.02679094  0.16112173  0.19037041  1
  H  H18  1  0.09974804  0.87565618  0.57771293  1
  H  H19  1  0.90026275  0.12434774  0.42228239  1
  H  H20  1  0.14771241  0.08814922  0.54695400  1
  H  H21  1  0.85229049  0.91185634  0.45304695  1
  H  H22  1  0.42601892  0.18877621  0.36432533  1
  H  H23  1  0.57398274  0.81122708  0.63567354  1
  H  H24  1  0.61640801  0.98570755  0.69194821  1
  H  H25  1  0.38359600  0.01429575  0.30804947  1
  H  H26  1  0.36812403  0.69798018  0.28381765  1
  H  H27  1  0.63186648  0.30202461  0.71618406  1
  H  H28  1  0.55982646  0.33404171  0.29888552  1
  H  H29  1  0.44018186  0.66596419  0.70111426  1
  H  H30  1  0.42429849  0.41812516  0.08714109  1
  H  H31  1  0.57570493  0.58187813  0.91286054  1
  H  H32  1  0.30924745  0.65443820  0.07973866  1
  H  H33  1  0.69073659  0.34556442  0.92026557  1
  H  H34  1  0.20805468  0.39144038  0.64927797  1
  H  H35  1  0.79195787  0.60856061  0.35071429  1
  H  H36  1  0.15553137  0.72240935  0.46047315  1
  H  H37  1  0.84445508  0.27759627  0.53952977  1
  H  H38  1  0.83300998  0.71840713  0.56688234  1
  H  H39  1  0.16698199  0.28158619  0.43311934  1
  H  H40  1  0.88441155  0.50564665  0.70044135  1
  H  H41  1  0.11559479  0.49434569  0.29955999  1
  C  C42  1  0.04549075  0.27458578  0.91466167  1
  C  C43  1  0.95450985  0.72541389  0.08533950  1
  C  C44  1  0.02564113  0.38848340  0.96190741  1
  C  C45  1  0.97435940  0.61151528  0.03809533  1
  C  C46  1  0.12568250  0.46221941  0.90629199  1
  C  C47  1  0.87431822  0.53777954  0.09371080  1
  C  C48  1  0.90170495  0.42780742  0.05827178  1
  C  C49  1  0.09829657  0.57219129  0.94173108  1
  C  C50  1  0.61823995  0.11319644  0.10269901  1
  C  C51  1  0.38176098  0.88680299  0.89729975  1
  C  C52  1  0.45320663  0.16925918  0.06417151  1
  C  C53  1  0.54679458  0.83073878  0.93582657  1
  C  C54  1  0.47085066  0.15786320  0.94393864  1
  C  C55  1  0.52915091  0.84213386  0.05605983  1
  C  C56  1  0.00908951  0.91503404  0.76431956  1
  C  C57  1  0.99091703  0.08496543  0.23567650  1
  C  C58  1  0.07330026  0.93428112  0.64529366  1
  C  C59  1  0.92670654  0.06572103  0.35470360  1
  C  C60  1  0.10275692  0.04198986  0.62950788  1
  C  C61  1  0.89724575  0.95801435  0.37049116  1
  C  C62  1  0.54877295  0.20843164  0.57255064  1
  C  C63  1  0.45122478  0.79157285  0.42744896  1
  C  C64  1  0.52146394  0.10273710  0.53411608  1
  C  C65  1  0.47853689  0.89726667  0.46588262  1
  C  C66  1  0.45679943  0.10662139  0.42567136  1
  C  C67  1  0.54320222  0.89338198  0.57432748  1
  C  C68  1  0.56445730  0.99349272  0.60712710  1
  C  C69  1  0.43554478  0.00651061  0.39287127  1
  C  C70  1  0.49172220  0.42431494  0.26629722  1
  C  C71  1  0.50828068  0.57568977  0.73370429  1
  C  C72  1  0.42992214  0.46855603  0.15568921  1
  C  C73  1  0.57007689  0.53144793  0.84431252  1
  C  C74  1  0.36411575  0.58920608  0.15307045  1
  C  C75  1  0.63587529  0.41079760  0.84693248  1
  C  C76  1  0.12265834  0.65199444  0.52173048  1
  C  C77  1  0.87733398  0.34800894  0.47827187  1
  C  C78  1  0.95826829  0.64996731  0.57800059  1
  C  C79  1  0.04172705  0.35002957  0.42200176  1
  C  C80  1  0.98196034  0.54081615  0.64538162  1
  C  C81  1  0.01804241  0.45918056  0.35461939  1
  N  N82  1  0.73457870  0.06874810  0.01034106  1
  N  N83  1  0.26542308  0.93125084  0.98965751  1
  N  N84  1  0.63883435  0.09544218  0.91359882  1
  N  N85  1  0.36116735  0.90455541  0.08640001  1
  N  N86  1  -0.00056959  1.00697547  0.82050871  1
  N  N87  1  1.00057081  -0.00697615  0.17948953  1
  N  N88  1  0.05968545  0.08403415  0.73477322  1
  N  N89  1  0.94031362  0.91596698  0.26522733  1
  N  N90  1  0.45982600  0.51420844  0.33140257  1
  N  N91  1  0.54017159  0.48579736  0.66859843  1
  N  N92  1  0.37700893  0.61566076  0.26013902  1
  N  N93  1  0.62298152  0.38434352  0.73986394  1
  N  N94  1  0.24425254  0.54658223  0.55232215  1
  N  N95  1  0.75574582  0.45342329  0.44767863  1
  N  N96  1  0.15447959  0.48069423  0.63163897  1
  N  N97  1  0.84552452  0.51930729  0.36836268  1
  O  O98  1  0.99591346  0.19347008  0.98332932  1
  O  O99  1  0.00408736  0.80652899  0.01667020  1
  O  O100  1  0.10999798  0.26892334  0.80574730  1
  O  O101  1  0.89000145  0.73107808  0.19425346  1
  O  O102  1  0.48296211  0.31202385  0.51691087  1
  O  O103  1  0.51703457  0.68798112  0.48309010  1
  O  O104  1  0.63902659  0.18622150  0.66016867  1
  O  O105  1  0.36097024  0.81378244  0.33983163  1
