# generated using pymatgen
data_Mn4VH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36117079
_cell_length_b   9.71296066
_cell_length_c   13.66739193
_cell_angle_alpha   103.36960051
_cell_angle_beta   90.00001923
_cell_angle_gamma   90.00012906
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4VH32C12(NO2)6
_chemical_formula_sum   'Mn8 V2 H64 C24 N12 O24'
_cell_volume   1209.02441270
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.10305521  0.87037981  0.72889450  1
  Mn  Mn1  1  0.60307116  0.62961808  0.77112094  1
  Mn  Mn2  1  0.89691988  0.12963066  0.27113352  1
  Mn  Mn3  1  0.39692286  0.37038839  0.22888034  1
  Mn  Mn4  1  0.96016758  0.56322528  0.71935452  1
  Mn  Mn5  1  0.46017125  0.93676015  0.78064562  1
  Mn  Mn6  1  0.03982617  0.43677415  0.28064874  1
  Mn  Mn7  1  0.53982603  0.06323402  0.21934740  1
  V  V8  1  -0.00000034  0.99999644  1.00000210  1
  V  V9  1  0.50000034  0.49999934  0.50000097  1
  H  H10  1  0.19591874  0.19801962  0.09047775  1
  H  H11  1  0.69591351  0.30197819  0.40951732  1
  H  H12  1  0.80408139  0.80198065  0.90952061  1
  H  H13  1  0.30409108  0.69802457  0.59048460  1
  H  H14  1  0.28052465  0.10206863  0.98942670  1
  H  H15  1  0.78052197  0.39793012  0.51056670  1
  H  H16  1  0.71947887  0.89793393  0.01057391  1
  H  H17  1  0.21947861  0.60207000  0.48943601  1
  H  H18  1  0.53384819  0.44648939  0.85510192  1
  H  H19  1  0.03384917  0.05350086  0.64488897  1
  H  H20  1  0.46614944  0.55351336  0.14490170  1
  H  H21  1  0.96615484  0.94651100  0.35510664  1
  H  H22  1  0.54719672  0.21637084  0.88465234  1
  H  H23  1  0.04719472  0.28362134  0.61534723  1
  H  H24  1  0.45280473  0.78362938  0.11534499  1
  H  H25  1  0.95280873  0.71637750  0.38465303  1
  H  H26  1  0.77945979  0.03244958  0.84924992  1
  H  H27  1  0.27945829  0.46754866  0.65075062  1
  H  H28  1  0.22053514  0.96755322  0.15075009  1
  H  H29  1  0.72054225  0.53244858  0.34925218  1
  H  H30  1  0.93002706  0.11050099  0.80568496  1
  H  H31  1  0.43002872  0.38950119  0.69431359  1
  H  H32  1  0.06996516  0.88950136  0.19430877  1
  H  H33  1  0.56997327  0.61049691  0.30568779  1
  H  H34  1  0.21725262  0.33188307  0.96507441  1
  H  H35  1  0.71725184  0.16811628  0.53492256  1
  H  H36  1  0.78274854  0.66811629  0.03492282  1
  H  H37  1  0.28274882  0.83188187  0.46507895  1
  H  H38  1  0.15317657  0.18373710  0.87518356  1
  H  H39  1  0.65317945  0.31626592  0.62481311  1
  H  H40  1  0.84682369  0.81626446  0.12481538  1
  H  H41  1  0.34682012  0.68373266  0.37518779  1
  H  H42  1  0.58560862  0.36598620  0.04904486  1
  H  H43  1  0.08561382  0.13400288  0.45095131  1
  H  H44  1  0.41438978  0.63401025  0.95095208  1
  H  H45  1  0.91438958  0.86600486  0.54905189  1
  H  H46  1  0.74094659  0.43041451  0.00220522  1
  H  H47  1  0.24095283  0.06958495  0.49779704  1
  H  H48  1  0.25905103  0.56958707  0.99779468  1
  H  H49  1  0.75904866  0.93041482  0.50220076  1
  H  H50  1  0.79571269  0.25969048  0.10508701  1
  H  H51  1  0.29570962  0.24030648  0.39491352  1
  H  H52  1  0.20429118  0.74030260  0.89491237  1
  H  H53  1  0.70429236  0.75969735  0.60508667  1
  H  H54  1  0.69379583  0.12654407  0.02455874  1
  H  H55  1  0.19379307  0.37345321  0.47544266  1
  H  H56  1  0.30620523  0.87345593  0.97543946  1
  H  H57  1  0.80620811  0.62654776  0.52455872  1
  H  H58  1  0.80697460  0.33149042  0.81333437  1
  H  H59  1  0.30697431  0.16850766  0.68666582  1
  H  H60  1  0.19302938  0.66851125  0.18666696  1
  H  H61  1  0.69302800  0.83148498  0.31332968  1
  H  H62  1  0.70194540  0.18726488  0.74872702  1
  H  H63  1  0.20194588  0.31273231  0.75127343  1
  H  H64  1  0.29805759  0.81273995  0.25127173  1
  H  H65  1  0.79805846  0.68725842  0.24872786  1
  H  H66  1  0.98429128  0.35601970  0.05630085  1
  H  H67  1  0.48428759  0.14398004  0.44369906  1
  H  H68  1  0.01570964  0.64398152  0.94369668  1
  H  H69  1  0.51571218  0.85601938  0.55630133  1
  H  H70  1  0.96659985  0.36791588  0.92706735  1
  H  H71  1  0.46659978  0.13208506  0.57293404  1
  H  H72  1  0.03340202  0.63208497  0.07293153  1
  H  H73  1  0.53339986  0.86791424  0.42706613  1
  C  C74  1  0.83831550  0.13185163  0.85628621  1
  C  C75  1  0.33831530  0.36814828  0.64371441  1
  C  C76  1  0.16168145  0.86814924  0.14371264  1
  C  C77  1  0.66168655  0.63184990  0.35628745  1
  C  C78  1  0.14303960  0.24198294  0.95370540  1
  C  C79  1  0.64303943  0.25801663  0.54629202  1
  C  C80  1  0.85696116  0.75801693  0.04629322  1
  C  C81  1  0.35696127  0.74198162  0.45370876  1
  C  C82  1  0.67413763  0.33559893  0.99503122  1
  C  C83  1  0.17414227  0.16439564  0.50496828  1
  C  C84  1  0.32586169  0.66440046  0.00496778  1
  C  C85  1  0.82586044  0.83560558  0.49503101  1
  C  C86  1  0.75989534  0.22052563  0.02774230  1
  C  C87  1  0.25989372  0.27947273  0.47225872  1
  C  C88  1  0.24010655  0.77947409  0.97225691  1
  C  C89  1  0.74010852  0.72052873  0.52774188  1
  C  C90  1  0.74321134  0.24036158  0.82287024  1
  C  C91  1  0.24321137  0.25963615  0.67713012  1
  C  C92  1  0.25678954  0.75964132  0.17712952  1
  C  C93  1  0.75679198  0.74035895  0.32286997  1
  C  C94  1  0.99221140  0.29712927  0.97705463  1
  C  C95  1  0.49221049  0.20287059  0.52294603  1
  C  C96  1  0.00778866  0.70287022  0.02294432  1
  C  C97  1  0.50779007  0.79712892  0.47705483  1
  N  N98  1  0.88647462  0.17831699  0.96230880  1
  N  N99  1  0.38647369  0.32168252  0.53769183  1
  N  N100  1  0.11352573  0.82168233  0.03768966  1
  N  N101  1  0.61352800  0.67831801  0.46230956  1
  N  N102  1  0.18289137  0.14335958  0.01680486  1
  N  N103  1  0.68288960  0.35663945  0.48319301  1
  N  N104  1  0.81710794  0.85664330  0.98319926  1
  N  N105  1  0.31711190  0.64336042  0.51680916  1
  N  N106  1  0.62557769  0.29282601  0.89123918  1
  N  N107  1  0.12557903  0.20717112  0.60875964  1
  N  N108  1  0.37442205  0.70717553  0.10875949  1
  N  N109  1  0.87442473  0.79282971  0.39123985  1
  O  O110  1  0.04953125  0.93459340  0.87296962  1
  O  O111  1  0.54954879  0.56540458  0.62704820  1
  O  O112  1  0.95045476  0.06540582  0.12706401  1
  O  O113  1  0.45045176  0.43459324  0.37295330  1
  O  O114  1  -0.02252699  0.97755507  0.66498163  1
  O  O115  1  0.47748027  0.52243058  0.83498868  1
  O  O116  1  1.02251559  0.02245926  0.33499206  1
  O  O117  1  0.52251801  0.47757417  0.16501732  1
  O  O118  1  0.90957120  0.42364452  0.63026032  1
  O  O119  1  0.40957876  0.07634333  0.86974026  1
  O  O120  1  0.09043050  0.57635475  0.36973984  1
  O  O121  1  0.59041892  0.92365320  0.13025203  1
  O  O122  1  0.05692803  0.67279652  0.66173276  1
  O  O123  1  0.55693620  0.82715839  0.83825871  1
  O  O124  1  0.94305187  0.32715053  0.33824837  1
  O  O125  1  0.44306356  0.17284904  0.16174523  1
  O  O126  1  0.31120423  0.84176192  0.72681995  1
  O  O127  1  0.81118872  0.65823782  0.77317431  1
  O  O128  1  0.68882227  0.15824180  0.27316338  1
  O  O129  1  0.18880946  0.34176714  0.22682552  1
  O  O130  1  0.05545246  0.51695820  0.80942499  1
  O  O131  1  0.55545601  0.98303714  0.69057889  1
  O  O132  1  0.94454935  0.48306132  0.19058059  1
  O  O133  1  0.44454995  0.01695773  0.30942083  1
