# generated using pymatgen
data_VNiH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05137899
_cell_length_b   12.22766226
_cell_length_c   11.34933233
_cell_angle_alpha   79.69462137
_cell_angle_beta   80.89980560
_cell_angle_gamma   70.73336553
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiH40C40(N2O)8
_chemical_formula_sum   'V1 Ni1 H40 C40 N16 O8'
_cell_volume   1031.81490997
_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  0.00000026  0.00000058  -0.00000152  1
  Ni  Ni1  1  0.49999771  0.50000445  0.50000142  1
  H  H2  1  0.23617664  0.43320623  0.83648042  1
  H  H3  1  0.76382671  0.56678767  0.16352453  1
  H  H4  1  0.81187958  0.37694513  0.09585635  1
  H  H5  1  0.18812158  0.62304976  0.90414755  1
  H  H6  1  0.70321550  0.09909321  0.82393861  1
  H  H7  1  0.29678669  0.90090809  0.17605829  1
  H  H8  1  0.65577551  0.10053077  0.19298526  1
  H  H9  1  0.34422681  0.89947086  0.80701107  1
  H  H10  1  0.33485190  0.21144684  0.11646945  1
  H  H11  1  0.66514907  0.78855009  0.88352747  1
  H  H12  1  0.37521671  0.19092793  0.87889688  1
  H  H13  1  0.62478490  0.80906929  0.12109996  1
  H  H14  1  0.09328335  0.15553221  0.76025468  1
  H  H15  1  0.90671504  0.84447078  0.23974926  1
  H  H16  1  0.97624588  0.83876894  0.81467692  1
  H  H17  1  0.02376408  0.16123064  0.18531483  1
  H  H18  1  0.09292727  0.87776798  0.57928984  1
  H  H19  1  0.90709118  0.12223604  0.42070466  1
  H  H20  1  0.14954655  0.08683199  0.54776456  1
  H  H21  1  0.85046299  0.91317472  0.45223679  1
  H  H22  1  0.42634699  0.19571368  0.37618397  1
  H  H23  1  0.57365321  0.80428856  0.62381292  1
  H  H24  1  0.62418287  0.97090706  0.69459555  1
  H  H25  1  0.37582350  0.02909388  0.30539910  1
  H  H26  1  0.36890904  0.69826355  0.28871805  1
  H  H27  1  0.63107977  0.30174254  0.71128421  1
  H  H28  1  0.55741503  0.33531192  0.30857330  1
  H  H29  1  0.44258849  0.66469468  0.69143051  1
  H  H30  1  0.42512588  0.41762427  0.09403526  1
  H  H31  1  0.57487837  0.58237844  0.90596854  1
  H  H32  1  0.31296599  0.65317157  0.08394537  1
  H  H33  1  0.68701986  0.34683166  0.91605948  1
  H  H34  1  0.22349749  0.39076527  0.63636612  1
  H  H35  1  0.77650888  0.60923838  0.36363098  1
  H  H36  1  0.16053569  0.72360624  0.45851931  1
  H  H37  1  0.83944863  0.27640093  0.54148506  1
  H  H38  1  0.83799080  0.71652044  0.56369485  1
  H  H39  1  0.16199829  0.28347560  0.43630741  1
  H  H40  1  0.89440160  0.50165180  0.69349629  1
  H  H41  1  0.10560060  0.49834347  0.30650533  1
  C  C42  1  0.04825303  0.27499062  0.91271671  1
  C  C43  1  0.95174874  0.72500572  0.08728428  1
  C  C44  1  0.02613778  0.38918400  0.96023626  1
  C  C45  1  0.97386393  0.61081058  0.03976742  1
  C  C46  1  0.13088644  0.46113191  0.90835200  1
  C  C47  1  0.86911656  0.53886212  0.09165260  1
  C  C48  1  0.89555046  0.43057271  0.05339166  1
  C  C49  1  0.10445197  0.56942146  0.94661274  1
  C  C50  1  0.62094755  0.11089989  0.10246106  1
  C  C51  1  0.37905451  0.88910014  0.89753561  1
  C  C52  1  0.45525141  0.16611777  0.06332139  1
  C  C53  1  0.54475002  0.83388015  0.93667544  1
  C  C54  1  0.47366796  0.15638263  0.94206460  1
  C  C55  1  0.52633366  0.84361445  0.05793239  1
  C  C56  1  0.01251439  0.91422942  0.76808582  1
  C  C57  1  0.98749270  0.08577220  0.23190875  1
  C  C58  1  0.07182965  0.93492357  0.64753876  1
  C  C59  1  0.92818133  0.06508028  0.35245696  1
  C  C60  1  0.10495657  0.04106992  0.63117431  1
  C  C61  1  0.89505041  0.95893505  0.36882499  1
  C  C62  1  0.54132165  0.19849198  0.58708925  1
  C  C63  1  0.45867659  0.80151015  0.41290869  1
  C  C64  1  0.52365012  0.09525231  0.54181010  1
  C  C65  1  0.47635444  0.90474892  0.45818529  1
  C  C66  1  0.45620124  0.11008696  0.43147262  1
  C  C67  1  0.54380271  0.88991443  0.56852286  1
  C  C68  1  0.56876194  0.98409569  0.60951278  1
  C  C69  1  0.43124379  0.01590532  0.39048216  1
  C  C70  1  0.49176135  0.42548289  0.27452599  1
  C  C71  1  0.50823970  0.57452316  0.72547743  1
  C  C72  1  0.43086154  0.46840795  0.16229359  1
  C  C73  1  0.56913795  0.53159633  0.83771008  1
  C  C74  1  0.36840015  0.58863647  0.15794373  1
  C  C75  1  0.63158991  0.41136767  0.84206049  1
  C  C76  1  0.13005906  0.65201150  0.51896378  1
  C  C77  1  0.86993098  0.34799408  0.48104099  1
  C  C78  1  0.96473397  0.64912169  0.57543793  1
  C  C79  1  0.03525802  0.35087792  0.42456515  1
  C  C80  1  0.99115714  0.53892161  0.63988083  1
  C  C81  1  0.00884152  0.46107691  0.36012087  1
  N  N82  1  0.73906163  0.06867616  0.00851837  1
  N  N83  1  0.26094075  0.93132435  0.99147828  1
  N  N84  1  0.64303206  0.09435721  0.91081716  1
  N  N85  1  0.35697002  0.90564106  0.08917950  1
  N  N86  1  0.01001735  1.00445181  0.82454545  1
  N  N87  1  0.98998323  -0.00445017  0.17545194  1
  N  N88  1  0.06756020  0.08222057  0.73733540  1
  N  N89  1  0.93243910  0.91778313  0.26266510  1
  N  N90  1  0.46341717  0.51549891  0.33709723  1
  N  N91  1  0.53657744  0.48450808  0.66290618  1
  N  N92  1  0.38662592  0.61486717  0.26453508  1
  N  N93  1  0.61335983  0.38513842  0.73546962  1
  N  N94  1  0.25216642  0.54709010  0.54650504  1
  N  N95  1  0.74782929  0.45291810  0.45349934  1
  N  N96  1  0.16491677  0.47982977  0.62335681  1
  N  N97  1  0.83508422  0.52017364  0.37664592  1
  O  O98  1  0.99574274  0.19397224  0.98074761  1
  O  O99  1  0.00425830  0.80602317  0.01925104  1
  O  O100  1  0.11763435  0.26816692  0.80462906  1
  O  O101  1  0.88236760  0.73183176  0.19537195  1
  O  O102  1  0.44536732  0.29871317  0.54568243  1
  O  O103  1  0.55462357  0.70128772  0.45431879  1
  O  O104  1  0.65335660  0.17792398  0.66289068  1
  O  O105  1  0.34664270  0.82208030  0.33710601  1
