# generated using pymatgen
data_VFeH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06709611
_cell_length_b   12.20522583
_cell_length_c   11.37447699
_cell_angle_alpha   79.74145066
_cell_angle_beta   80.91464860
_cell_angle_gamma   70.79319774
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeH40C40(N2O)8
_chemical_formula_sum   'V1 Fe1 H40 C40 N16 O8'
_cell_volume   1034.73261173
_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  0.00000092  0.00000014  -0.00000105  1
  Fe  Fe1  1  0.49999797  0.50000301  0.50000104  1
  H  H2  1  0.23166291  0.43163773  0.83566287  1
  H  H3  1  0.76833968  0.56835777  0.16434060  1
  H  H4  1  0.81731509  0.37572273  0.10388706  1
  H  H5  1  0.18268615  0.62427338  0.89611606  1
  H  H6  1  0.70346381  0.09888662  0.82452498  1
  H  H7  1  0.29653965  0.90111354  0.17547325  1
  H  H8  1  0.65840492  0.10056494  0.19209985  1
  H  H9  1  0.34159664  0.89943695  0.80789800  1
  H  H10  1  0.33700759  0.21086256  0.11719556  1
  H  H11  1  0.66299360  0.78913506  0.88280222  1
  H  H12  1  0.37426544  0.18847454  0.88082545  1
  H  H13  1  0.62573648  0.81152154  0.11917295  1
  H  H14  1  0.08901820  0.15643034  0.75988526  1
  H  H15  1  0.91097879  0.84357262  0.24011688  1
  H  H16  1  0.97561144  0.83834184  0.81347233  1
  H  H17  1  0.02439856  0.16165695  0.18652181  1
  H  H18  1  0.09555708  0.87675543  0.57918285  1
  H  H19  1  0.90445678  0.12324828  0.42081221  1
  H  H20  1  0.14567567  0.08813884  0.54734550  1
  H  H21  1  0.85432990  0.91186692  0.45265516  1
  H  H22  1  0.42432934  0.19289445  0.37120809  1
  H  H23  1  0.57567154  0.80710995  0.62878968  1
  H  H24  1  0.62180933  0.97756278  0.69325786  1
  H  H25  1  0.37819590  0.02244079  0.30673817  1
  H  H26  1  0.36868391  0.69881120  0.28527257  1
  H  H27  1  0.63130848  0.30119372  0.71472873  1
  H  H28  1  0.55646303  0.33518294  0.30470365  1
  H  H29  1  0.44353914  0.66482244  0.69529957  1
  H  H30  1  0.42339598  0.41770387  0.09119876  1
  H  H31  1  0.57660541  0.58229795  0.90880459  1
  H  H32  1  0.31375629  0.65364476  0.08052361  1
  H  H33  1  0.68623312  0.34635707  0.91947900  1
  H  H34  1  0.21700640  0.39071647  0.64076567  1
  H  H35  1  0.78299918  0.60928493  0.35923004  1
  H  H36  1  0.15829317  0.72386951  0.46176667  1
  H  H37  1  0.84169341  0.27613722  0.53823864  1
  H  H38  1  0.83566532  0.71673032  0.56656124  1
  H  H39  1  0.16432679  0.28326524  0.43344096  1
  H  H40  1  0.89053299  0.50172110  0.69544586  1
  H  H41  1  0.10947167  0.49827303  0.30455570  1
  C  C42  1  0.04687490  0.27319641  0.91559612  1
  C  C43  1  0.95312492  0.72680206  0.08440386  1
  C  C44  1  0.02523103  0.38785056  0.96271547  1
  C  C45  1  0.97476930  0.61214630  0.03728684  1
  C  C46  1  0.12754960  0.46045000  0.90760309  1
  C  C47  1  0.87245208  0.53954631  0.09239980  1
  C  C48  1  0.89834618  0.42974398  0.05737287  1
  C  C49  1  0.10165507  0.57025228  0.94263008  1
  C  C50  1  0.62262773  0.11088666  0.10206756  1
  C  C51  1  0.37737413  0.88911300  0.89793058  1
  C  C52  1  0.45713537  0.16653516  0.06347867  1
  C  C53  1  0.54286593  0.83346307  0.93651956  1
  C  C54  1  0.47429620  0.15644501  0.94261801  1
  C  C55  1  0.52570557  0.84355260  0.05737975  1
  C  C56  1  0.01142469  0.91410842  0.76728395  1
  C  C57  1  0.98858275  0.08589205  0.23271213  1
  C  C58  1  0.07178286  0.93465792  0.64712902  1
  C  C59  1  0.92822606  0.06534506  0.35286700  1
  C  C60  1  0.10243419  0.04178430  0.63069317  1
  C  C61  1  0.89756927  0.95822000  0.36930717  1
  C  C62  1  0.54379200  0.20331283  0.57990710  1
  C  C63  1  0.45620616  0.79669124  0.42009214  1
  C  C64  1  0.52116291  0.09875120  0.53871436  1
  C  C65  1  0.47883865  0.90125284  0.46128305  1
  C  C66  1  0.45452503  0.10875787  0.42929586  1
  C  C67  1  0.54547774  0.89124604  0.57070108  1
  C  C68  1  0.56728857  0.98834179  0.60848445  1
  C  C69  1  0.43271485  0.01166198  0.39151224  1
  C  C70  1  0.49063324  0.42532828  0.27078819  1
  C  C71  1  0.50936570  0.57467661  0.72921483  1
  C  C72  1  0.42964242  0.46854855  0.15914169  1
  C  C73  1  0.57035511  0.53145455  0.84086146  1
  C  C74  1  0.36677528  0.58906796  0.15495423  1
  C  C75  1  0.63321731  0.41093536  0.84504848  1
  C  C76  1  0.12678806  0.65241976  0.52188585  1
  C  C77  1  0.87320474  0.34758404  0.47811802  1
  C  C78  1  0.96200935  0.64906459  0.57768337  1
  C  C79  1  0.03798525  0.35093403  0.42231940  1
  C  C80  1  0.98763773  0.53889001  0.64244293  1
  C  C81  1  0.01236317  0.46110749  0.35755783  1
  N  N82  1  0.73950756  0.06811453  0.00817644  1
  N  N83  1  0.26049476  0.93188539  0.99182186  1
  N  N84  1  0.64301338  0.09426994  0.91093220  1
  N  N85  1  0.35698958  0.90572872  0.08906589  1
  N  N86  1  0.00691718  1.00479536  0.82366477  1
  N  N87  1  0.99308444  -0.00479486  0.17633342  1
  N  N88  1  0.06283713  0.08337673  0.73651545  1
  N  N89  1  0.93716209  0.91662534  0.26348389  1
  N  N90  1  0.46097099  0.51542908  0.33443154  1
  N  N91  1  0.53902484  0.48457664  0.66557067  1
  N  N92  1  0.38295356  0.61556618  0.26153010  1
  N  N93  1  0.61703719  0.38443843  0.73847246  1
  N  N94  1  0.24968382  0.54754628  0.55006976  1
  N  N95  1  0.75031348  0.45245935  0.44993231  1
  N  N96  1  0.16115006  0.47987702  0.62729732  1
  N  N97  1  0.83885203  0.52012422  0.37270302  1
  O  O98  1  0.99887014  0.19054363  0.98424055  1
  O  O99  1  0.00113213  0.80945268  0.01575795  1
  O  O100  1  0.11196324  0.26771307  0.80681112  1
  O  O101  1  0.88803520  0.73228843  0.19318872  1
  O  O102  1  0.46351925  0.30540248  0.53014608  1
  O  O103  1  0.53647422  0.69460170  0.46985610  1
  O  O104  1  0.64452730  0.18181268  0.66255204  1
  O  O105  1  0.35547195  0.81819146  0.33744647  1
