# generated using pymatgen
data_MnVH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07972975
_cell_length_b   12.18781881
_cell_length_c   11.39427334
_cell_angle_alpha   79.78398190
_cell_angle_beta   80.92280037
_cell_angle_gamma   70.86754309
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVH40C40(N2O)8
_chemical_formula_sum   'Mn1 V1 H40 C40 N16 O8'
_cell_volume   1037.25165285
_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  0.00000119  0.00000016  -0.00000099  1
  Mn  Mn1  1  0.49999859  0.50000382  0.50000101  1
  H  H2  1  0.22870637  0.43186946  0.83454762  1
  H  H3  1  0.77129449  0.56812608  0.16545507  1
  H  H4  1  0.82149457  0.37405670  0.10709604  1
  H  H5  1  0.17850605  0.62593921  0.89290646  1
  H  H6  1  0.70249098  0.09838977  0.82440675  1
  H  H7  1  0.29751121  0.90161085  0.17559114  1
  H  H8  1  0.66063162  0.10082633  0.19116623  1
  H  H9  1  0.33937132  0.89917519  0.80883140  1
  H  H10  1  0.33886589  0.21005204  0.11765371  1
  H  H11  1  0.66113601  0.78994665  0.88234448  1
  H  H12  1  0.37399858  0.18694591  0.88210199  1
  H  H13  1  0.62600297  0.81305066  0.11789677  1
  H  H14  1  0.08715634  0.15684561  0.76016343  1
  H  H15  1  0.91284133  0.84315765  0.23983818  1
  H  H16  1  0.97440226  0.83817298  0.81298647  1
  H  H17  1  0.02560729  0.16182584  0.18700834  1
  H  H18  1  0.09595993  0.87630105  0.57960710  1
  H  H19  1  0.90405376  0.12370212  0.42038870  1
  H  H20  1  0.14643171  0.08785917  0.54806040  1
  H  H21  1  0.85357184  0.91214654  0.45194003  1
  H  H22  1  0.43074806  0.19075727  0.36772912  1
  H  H23  1  0.56925025  0.80924708  0.63227014  1
  H  H24  1  0.61922102  0.98009979  0.69312687  1
  H  H25  1  0.38078493  0.01990312  0.30686967  1
  H  H26  1  0.36902941  0.69946095  0.28149908  1
  H  H27  1  0.63096251  0.30054444  0.71850187  1
  H  H28  1  0.55581885  0.33620725  0.29602210  1
  H  H29  1  0.44418347  0.66379814  0.70398229  1
  H  H30  1  0.41526687  0.42064047  0.08576182  1
  H  H31  1  0.58473478  0.57936068  0.91424257  1
  H  H32  1  0.30693131  0.65670270  0.07723389  1
  H  H33  1  0.69305624  0.34329863  0.92276998  1
  H  H34  1  0.20837058  0.39458782  0.64517154  1
  H  H35  1  0.79163934  0.60541489  0.35482482  1
  H  H36  1  0.14718728  0.72673685  0.46283644  1
  H  H37  1  0.85279788  0.27327025  0.53716764  1
  H  H38  1  0.82502214  0.71827008  0.56566702  1
  H  H39  1  0.17496727  0.28172342  0.43433268  1
  H  H40  1  0.88146289  0.50460599  0.69801674  1
  H  H41  1  0.11854276  0.49538604  0.30198257  1
  C  C42  1  0.04683874  0.27298007  0.91640130  1
  C  C43  1  0.95316239  0.72701782  0.08359838  1
  C  C44  1  0.02556911  0.38743726  0.96362478  1
  C  C45  1  0.97443130  0.61255914  0.03637728  1
  C  C46  1  0.12579445  0.46081563  0.90682986  1
  C  C47  1  0.87420605  0.53918053  0.09317256  1
  C  C48  1  0.90070710  0.42877591  0.05920608  1
  C  C49  1  0.09929348  0.57122024  0.94079630  1
  C  C50  1  0.62403795  0.11063893  0.10162387  1
  C  C51  1  0.37596456  0.88936120  0.89837382  1
  C  C52  1  0.45825940  0.16538335  0.06385209  1
  C  C53  1  0.54174283  0.83461539  0.93614609  1
  C  C54  1  0.47452101  0.15524837  0.94322924  1
  C  C55  1  0.52548058  0.84474983  0.05676908  1
  C  C56  1  0.01104703  0.91382611  0.76729882  1
  C  C57  1  0.98896018  0.08617434  0.23269752  1
  C  C58  1  0.07153038  0.93445325  0.64739882  1
  C  C59  1  0.92847743  0.06554955  0.35259808  1
  C  C60  1  0.10192297  0.04181983  0.63108656  1
  C  C61  1  0.89808023  0.95818444  0.36891255  1
  C  C62  1  0.54955119  0.20469000  0.57598225  1
  C  C63  1  0.45044791  0.79531397  0.42401716  1
  C  C64  1  0.52379397  0.09950748  0.53664550  1
  C  C65  1  0.47620841  0.90049609  0.46335231  1
  C  C66  1  0.45851653  0.10756004  0.42741997  1
  C  C67  1  0.54148496  0.89244377  0.57257804  1
  C  C68  1  0.56596061  0.98993840  0.60824331  1
  C  C69  1  0.43404314  0.01006487  0.39175379  1
  C  C70  1  0.49108693  0.42683523  0.26282563  1
  C  C71  1  0.50891350  0.57316980  0.73717792  1
  C  C72  1  0.42516774  0.47082757  0.15325790  1
  C  C73  1  0.57483079  0.52917521  0.84674599  1
  C  C74  1  0.36328303  0.59147096  0.15014752  1
  C  C75  1  0.63670940  0.40853165  0.84985594  1
  C  C76  1  0.11603127  0.65510978  0.52286379  1
  C  C77  1  0.88395933  0.34489486  0.47713956  1
  C  C78  1  0.95139082  0.65147785  0.57802731  1
  C  C79  1  0.04860186  0.34852026  0.42197405  1
  C  C80  1  0.97775429  0.54163489  0.64386851  1
  C  C81  1  0.02224694  0.45836174  0.35613120  1
  N  N82  1  0.74016228  0.06842043  0.00747731  1
  N  N83  1  0.25984003  0.93157949  0.99252066  1
  N  N84  1  0.64304727  0.09387962  0.91091769  1
  N  N85  1  0.35695529  0.90611974  0.08908035  1
  N  N86  1  0.00652304  1.00452795  0.82377104  1
  N  N87  1  0.99347939  -0.00452763  0.17622689  1
  N  N88  1  0.06169431  0.08350714  0.73675100  1
  N  N89  1  0.93830519  0.91649583  0.26324900  1
  N  N90  1  0.46602758  0.51623832  0.32599189  1
  N  N91  1  0.53396926  0.48376775  0.67401053  1
  N  N92  1  0.38521644  0.61662020  0.25573128  1
  N  N93  1  0.61477435  0.38338444  0.74427156  1
  N  N94  1  0.23847102  0.55129531  0.55209708  1
  N  N95  1  0.76152597  0.44871246  0.44790552  1
  N  N96  1  0.15119203  0.48360644  0.62915286  1
  N  N97  1  0.84881113  0.51639630  0.37084722  1
  O  O98  1  0.99985546  0.18979004  0.98488603  1
  O  O99  1  0.00014668  0.81020671  0.01511215  1
  O  O100  1  0.11055540  0.26815097  0.80747520  1
  O  O101  1  0.88944493  0.73184954  0.19252423  1
  O  O102  1  0.47974913  0.30652977  0.52120175  1
  O  O103  1  0.52024820  0.69347439  0.47879945  1
  O  O104  1  0.64293696  0.18323476  0.66264559  1
  O  O105  1  0.35706081  0.81676897  0.33735498  1
