# generated using pymatgen
data_V3Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35449307
_cell_length_b   9.70816596
_cell_length_c   13.65373193
_cell_angle_alpha   103.42519673
_cell_angle_beta   90.00001477
_cell_angle_gamma   90.00013480
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Ni2H32C12(NO2)6
_chemical_formula_sum   'V6 Ni4 H64 C24 N12 O24'
_cell_volume   1206.07987400
_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
  Ni  Ni0  1  0.09769371  0.86491612  0.73202538  1
  Ni  Ni1  1  0.59769988  0.63507370  0.76797179  1
  Ni  Ni2  1  0.90230325  0.13508380  0.26797314  1
  Ni  Ni3  1  0.40229683  0.36493018  0.23203043  1
  V  V4  1  0.95329848  0.55789583  0.72514686  1
  V  V5  1  0.45329871  0.94209621  0.77485417  1
  V  V6  1  0.04669982  0.44210704  0.27485482  1
  V  V7  1  0.54669953  0.05790336  0.22514473  1
  V  V8  1  0.00000000  0.99999974  0.99999944  1
  V  V9  1  0.50000098  0.49999977  0.50000078  1
  H  H10  1  0.19611616  0.20013797  0.09102137  1
  H  H11  1  0.69611109  0.29986042  0.40897605  1
  H  H12  1  0.80388428  0.79986225  0.90897765  1
  H  H13  1  0.30389044  0.70013915  0.59102525  1
  H  H14  1  0.27977240  0.10122408  0.98984100  1
  H  H15  1  0.77977281  0.39877315  0.51015385  1
  H  H16  1  0.72022857  0.89877638  0.01015864  1
  H  H17  1  0.22022855  0.60122713  0.48984823  1
  H  H18  1  0.54099558  0.44127759  0.85172484  1
  H  H19  1  0.04099484  0.05871335  0.64827119  1
  H  H20  1  0.45900428  0.55872416  0.14827839  1
  H  H21  1  0.95900323  0.94128817  0.35172847  1
  H  H22  1  0.54192993  0.21328880  0.88607696  1
  H  H23  1  0.04192966  0.28670414  0.61392675  1
  H  H24  1  0.45806960  0.78671225  0.11392267  1
  H  H25  1  0.95806982  0.71329637  0.38607348  1
  H  H26  1  0.77797592  0.03053051  0.84996061  1
  H  H27  1  0.27797571  0.46946622  0.65004099  1
  H  H28  1  0.22202275  0.96946976  0.15003808  1
  H  H29  1  0.72202436  0.53053213  0.34996079  1
  H  H30  1  0.92772026  0.10574330  0.80345519  1
  H  H31  1  0.42772085  0.39425765  0.69654812  1
  H  H32  1  0.07227833  0.89425648  0.19654250  1
  H  H33  1  0.57227880  0.60573794  0.30345218  1
  H  H34  1  0.21666356  0.32977487  0.96555321  1
  H  H35  1  0.71666365  0.17022456  0.53444474  1
  H  H36  1  0.78333677  0.67022472  0.03444524  1
  H  H37  1  0.28333701  0.82977520  0.46555606  1
  H  H38  1  0.15232312  0.18214674  0.87527997  1
  H  H39  1  0.65232625  0.31785312  0.62471799  1
  H  H40  1  0.84767855  0.81785142  0.12471854  1
  H  H41  1  0.34767541  0.68214611  0.37528323  1
  H  H42  1  0.58396042  0.36424439  0.05064468  1
  H  H43  1  0.08395902  0.13574972  0.44935136  1
  H  H44  1  0.41604007  0.63575354  0.94935385  1
  H  H45  1  0.91604054  0.86425252  0.55064709  1
  H  H46  1  0.73866123  0.42931763  0.00291440  1
  H  H47  1  0.23866170  0.07068202  0.49708509  1
  H  H48  1  0.26133879  0.57068295  0.99708539  1
  H  H49  1  0.76133732  0.92931838  0.50291338  1
  H  H50  1  0.79506365  0.25745522  0.10591971  1
  H  H51  1  0.29506211  0.24254464  0.39408171  1
  H  H52  1  0.20493811  0.74254253  0.89407922  1
  H  H53  1  0.70494008  0.75745687  0.60591909  1
  H  H54  1  0.69262562  0.12549571  0.02450991  1
  H  H55  1  0.19262360  0.37450378  0.47549287  1
  H  H56  1  0.30737554  0.87450355  0.97548873  1
  H  H57  1  0.80737910  0.62549808  0.52450801  1
  H  H58  1  0.80204778  0.32732621  0.81131268  1
  H  H59  1  0.30205127  0.17267230  0.68868986  1
  H  H60  1  0.19795159  0.67267499  0.18868714  1
  H  H61  1  0.69794729  0.82732337  0.31130816  1
  H  H62  1  0.69524589  0.18135481  0.74974684  1
  H  H63  1  0.19524798  0.31864178  0.75025532  1
  H  H64  1  0.30475348  0.81864687  0.25025289  1
  H  H65  1  0.80475233  0.68135386  0.24974449  1
  H  H66  1  0.98313619  0.35734480  0.05654610  1
  H  H67  1  0.48313519  0.14265610  0.44345338  1
  H  H68  1  0.01686389  0.64265549  0.94345235  1
  H  H69  1  0.51686552  0.85734370  0.55654719  1
  H  H70  1  0.96804876  0.36668074  0.92601508  1
  H  H71  1  0.46805070  0.13331685  0.57398481  1
  H  H72  1  0.03195203  0.63331889  0.07398418  1
  H  H73  1  0.53195010  0.86668195  0.42601468  1
  C  C74  1  0.83722100  0.12953602  0.85582079  1
  C  C75  1  0.33722176  0.37046203  0.64418112  1
  C  C76  1  0.16277820  0.87046423  0.14417804  1
  C  C77  1  0.66277945  0.62953551  0.35581977  1
  C  C78  1  0.14218589  0.24005789  0.95410092  1
  C  C79  1  0.64218652  0.25994145  0.54589728  1
  C  C80  1  0.85781444  0.75994199  0.04589764  1
  C  C81  1  0.35781368  0.74005792  0.45410363  1
  C  C82  1  0.67245184  0.33371396  0.99590358  1
  C  C83  1  0.17245141  0.16628440  0.50409792  1
  C  C84  1  0.32754867  0.66628588  0.00409611  1
  C  C85  1  0.82754836  0.83371658  0.49590124  1
  C  C86  1  0.75945993  0.21930824  0.02820747  1
  C  C87  1  0.25945959  0.28069093  0.47179417  1
  C  C88  1  0.24054089  0.78069074  0.97179128  1
  C  C89  1  0.74054184  0.71931033  0.52820659  1
  C  C90  1  0.73916024  0.23636237  0.82293344  1
  C  C91  1  0.23916146  0.26363439  0.67706825  1
  C  C92  1  0.26083952  0.76363864  0.17706641  1
  C  C93  1  0.76083831  0.73636219  0.32293125  1
  C  C94  1  0.99171938  0.29653024  0.97709452  1
  C  C95  1  0.49171938  0.20346878  0.52290569  1
  C  C96  1  0.00828148  0.70347003  0.02290468  1
  C  C97  1  0.50828173  0.79652990  0.47709409  1
  N  N98  1  0.88557214  0.17802160  0.96185021  1
  N  N99  1  0.38557242  0.32197775  0.53815137  1
  N  N100  1  0.11442801  0.82197832  0.03814865  1
  N  N101  1  0.61442893  0.67802132  0.46184895  1
  N  N102  1  0.18213366  0.14273820  0.01754487  1
  N  N103  1  0.68213171  0.35726056  0.48245272  1
  N  N104  1  0.81786804  0.85726198  0.98245451  1
  N  N105  1  0.31787005  0.64273958  0.51754875  1
  N  N106  1  0.62368969  0.28834494  0.89274816  1
  N  N107  1  0.12369183  0.21165004  0.60725253  1
  N  N108  1  0.37631038  0.71165531  0.10725167  1
  N  N109  1  0.87630737  0.78834905  0.39274665  1
  O  O110  1  0.05083456  0.92794300  0.87515712  1
  O  O111  1  0.55083889  0.57205811  0.62484175  1
  O  O112  1  0.94916601  0.07205796  0.12484181  1
  O  O113  1  0.44916275  0.42794033  0.37516001  1
  O  O114  1  -0.01537433  0.98596976  0.67194683  1
  O  O115  1  0.48462707  0.51401218  0.82803818  1
  O  O116  1  1.01537126  0.01403468  0.32805421  1
  O  O117  1  0.51537198  0.48599515  0.17196986  1
  O  O118  1  0.91144586  0.41244833  0.63016528  1
  O  O119  1  0.41145197  0.08754145  0.86983814  1
  O  O120  1  0.08855496  0.58754978  0.36984016  1
  O  O121  1  0.58854606  0.91246160  0.13015679  1
  O  O122  1  0.04982843  0.67750315  0.66892164  1
  O  O123  1  0.54983091  0.82248527  0.83107487  1
  O  O124  1  0.95016432  0.32249830  0.33107470  1
  O  O125  1  0.45016872  0.17751974  0.16892841  1
  O  O126  1  0.29708921  0.85580807  0.71351844  1
  O  O127  1  0.79709499  0.64418554  0.78648838  1
  O  O128  1  0.70290835  0.14418547  0.28648510  1
  O  O129  1  0.20290207  0.35581684  0.21351077  1
  O  O130  1  0.05439637  0.51047182  0.81624544  1
  O  O131  1  0.55439228  0.98952502  0.68375496  1
  O  O132  1  0.94560668  0.48954015  0.18375838  1
  O  O133  1  0.44560501  0.01046718  0.31623987  1
