# generated using pymatgen
data_VNiH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05616521
_cell_length_b   12.22261996
_cell_length_c   11.35697055
_cell_angle_alpha   79.70386909
_cell_angle_beta   80.90062540
_cell_angle_gamma   70.73417055
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiH40C40(N2O)8
_chemical_formula_sum   'V1 Ni1 H40 C40 N16 O8'
_cell_volume   1032.72798307
_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
  Ni  Ni0  1  0.00000053  -0.00000076  -0.00000132  1
  V  V1  1  0.49999942  0.50000405  0.50000105  1
  H  H2  1  0.23669110  0.43914071  0.83440914  1
  H  H3  1  0.76331005  0.56085714  0.16559576  1
  H  H4  1  0.81826732  0.37098038  0.09182155  1
  H  H5  1  0.18173371  0.62901754  0.90818335  1
  H  H6  1  0.71046876  0.09549224  0.82542522  1
  H  H7  1  0.28953413  0.90450619  0.17457203  1
  H  H8  1  0.66121543  0.10002353  0.19136633  1
  H  H9  1  0.33878652  0.89997499  0.80863045  1
  H  H10  1  0.33970866  0.20862575  0.11679917  1
  H  H11  1  0.66029395  0.79137347  0.88319678  1
  H  H12  1  0.37950429  0.18572817  0.87972271  1
  H  H13  1  0.62049929  0.81426839  0.12027392  1
  H  H14  1  0.09508481  0.15663912  0.76352475  1
  H  H15  1  0.90491333  0.84336262  0.23647742  1
  H  H16  1  0.97441541  0.84218294  0.82240933  1
  H  H17  1  0.02559204  0.15781608  0.17758282  1
  H  H18  1  0.08938975  0.87810002  0.58623553  1
  H  H19  1  0.91062586  0.12190340  0.41375868  1
  H  H20  1  0.14919552  0.08620854  0.55254528  1
  H  H21  1  0.85081073  0.91379679  0.44745571  1
  H  H22  1  0.42665482  0.18919595  0.36549427  1
  H  H23  1  0.57334544  0.81080706  0.63450352  1
  H  H24  1  0.62027136  0.98256526  0.69234453  1
  H  H25  1  0.37973470  0.01743696  0.30765100  1
  H  H26  1  0.36913860  0.69828613  0.28291102  1
  H  H27  1  0.63085058  0.30171980  0.71708976  1
  H  H28  1  0.55917534  0.33465988  0.30008850  1
  H  H29  1  0.44082769  0.66534767  0.69991582  1
  H  H30  1  0.42250316  0.41848424  0.08745864  1
  H  H31  1  0.57750263  0.58151723  0.91254529  1
  H  H32  1  0.31056108  0.65403297  0.07775424  1
  H  H33  1  0.68942918  0.34596916  0.92224802  1
  H  H34  1  0.21240607  0.39343343  0.64440540  1
  H  H35  1  0.78760005  0.60657134  0.35559067  1
  H  H36  1  0.14891627  0.72595699  0.45836240  1
  H  H37  1  0.85106526  0.27405194  0.54164161  1
  H  H38  1  0.82694668  0.71714149  0.56415138  1
  H  H39  1  0.17304016  0.28285274  0.43585165  1
  H  H40  1  0.88463807  0.50376409  0.69685437  1
  H  H41  1  0.11536724  0.49622971  0.30314760  1
  C  C42  1  0.04867646  0.28205940  0.90642353  1
  C  C43  1  0.95132220  0.71794034  0.09357867  1
  C  C44  1  0.02721268  0.39351861  0.95516197  1
  C  C45  1  0.97278754  0.60647955  0.04484203  1
  C  C46  1  0.13112221  0.46605045  0.90628059  1
  C  C47  1  0.86887915  0.53394702  0.09372419  1
  C  C48  1  0.89788550  0.42787074  0.05109491  1
  C  C49  1  0.10211636  0.57212699  0.94890992  1
  C  C50  1  0.62695889  0.10899099  0.10126123  1
  C  C51  1  0.37304318  0.89100711  0.89873567  1
  C  C52  1  0.46018545  0.16437461  0.06298666  1
  C  C53  1  0.53981639  0.83562354  0.93701021  1
  C  C54  1  0.47891471  0.15404540  0.94234976  1
  C  C55  1  0.52108750  0.84595191  0.05764665  1
  C  C56  1  0.01021480  0.91742096  0.77479621  1
  C  C57  1  0.98979245  0.08257942  0.22519825  1
  C  C58  1  0.06942600  0.93592511  0.65370424  1
  C  C59  1  0.93058433  0.06407725  0.34629164  1
  C  C60  1  0.10435763  0.04126650  0.63631913  1
  C  C61  1  0.89564826  0.95873736  0.36367976  1
  C  C62  1  0.54852267  0.20688238  0.57522762  1
  C  C63  1  0.45147907  0.79311761  0.42477167  1
  C  C64  1  0.52259432  0.10158595  0.53533100  1
  C  C65  1  0.47740848  0.89841508  0.46466633  1
  C  C66  1  0.45641050  0.10682953  0.42652091  1
  C  C67  1  0.54359152  0.89317226  0.57347616  1
  C  C68  1  0.56659573  0.99193818  0.60736117  1
  C  C69  1  0.43340742  0.00806337  0.39263571  1
  C  C70  1  0.49288387  0.42486635  0.26638081  1
  C  C71  1  0.50711745  0.57514062  0.73362250  1
  C  C72  1  0.43024195  0.46891847  0.15545797  1
  C  C73  1  0.56975789  0.53108531  0.84454529  1
  C  C74  1  0.36684755  0.58948127  0.15153744  1
  C  C75  1  0.63314444  0.41052193  0.84846535  1
  C  C76  1  0.11838704  0.65488679  0.51988086  1
  C  C77  1  0.88160254  0.34511889  0.48012270  1
  C  C78  1  0.95428996  0.65042326  0.57596624  1
  C  C79  1  0.04570133  0.34957610  0.42403690  1
  C  C80  1  0.98106440  0.54058379  0.64201346  1
  C  C81  1  0.01893546  0.45941434  0.35798882  1
  N  N82  1  0.74372071  0.06640095  0.00852164  1
  N  N83  1  0.25628131  0.93359712  0.99147551  1
  N  N84  1  0.64907137  0.09305229  0.91167563  1
  N  N85  1  0.35093215  0.90694426  0.08832105  1
  N  N86  1  0.00693047  1.00838871  0.82902694  1
  N  N87  1  0.99307149  -0.00838952  0.17097092  1
  N  N88  1  0.06919389  0.08243587  0.74263604  1
  N  N89  1  0.93080559  0.91756687  0.25736424  1
  N  N90  1  0.46380880  0.51512882  0.33048209  1
  N  N91  1  0.53618882  0.48487969  0.66951998  1
  N  N92  1  0.38295373  0.61600605  0.25797998  1
  N  N93  1  0.61703329  0.38399989  0.74202254  1
  N  N94  1  0.24296011  0.55019910  0.54942910  1
  N  N95  1  0.75703381  0.44981092  0.45057400  1
  N  N96  1  0.15491560  0.48230152  0.62739528  1
  N  N97  1  0.84508703  0.51770211  0.37260496  1
  O  O98  1  0.98216844  0.20924181  0.97298214  1
  O  O99  1  0.01782649  0.79075839  0.02701653  1
  O  O100  1  0.12990231  0.26994527  0.80056507  1
  O  O101  1  0.87009894  0.73005486  0.19943727  1
  O  O102  1  0.47661394  0.31089830  0.52292123  1
  O  O103  1  0.52338628  0.68909989  0.47707739  1
  O  O104  1  0.64387359  0.18388600  0.66090687  1
  O  O105  1  0.35612579  0.81611492  0.33909533  1
