# generated using pymatgen
data_Mn2V2NiH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35829587
_cell_length_b   9.71261453
_cell_length_c   13.67349553
_cell_angle_alpha   103.38247539
_cell_angle_beta   90.00000655
_cell_angle_gamma   90.00012908
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2V2NiH32C12(NO2)6
_chemical_formula_sum   'Mn4 V4 Ni2 H64 C24 N12 O24'
_cell_volume   1209.08517163
_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
  V  V0  1  0.09932632  0.85815360  0.73023227  1
  V  V1  1  0.59932872  0.64183866  0.76976606  1
  V  V2  1  0.90067359  0.14184555  0.26976691  1
  V  V3  1  0.40067128  0.35816248  0.23023528  1
  Mn  Mn4  1  0.95432694  0.55191429  0.73028825  1
  Mn  Mn5  1  0.45432615  0.94807838  0.76971290  1
  Mn  Mn6  1  0.04567256  0.44808645  0.26971229  1
  Mn  Mn7  1  0.54567216  0.05192146  0.23028705  1
  Ni  Ni8  1  -0.00000002  0.99999994  0.99999959  1
  Ni  Ni9  1  0.50000032  0.50000028  0.50000063  1
  H  H10  1  0.18955464  0.19093247  0.08750171  1
  H  H11  1  0.68955196  0.30906592  0.41249586  1
  H  H12  1  0.81044598  0.80906753  0.91249740  1
  H  H13  1  0.31044970  0.69093500  0.58750538  1
  H  H14  1  0.27762556  0.10020597  0.98671068  1
  H  H15  1  0.77762581  0.39979254  0.51328538  1
  H  H16  1  0.72237398  0.89979329  0.01328825  1
  H  H17  1  0.22237410  0.60020856  0.48671649  1
  H  H18  1  0.58018658  0.37611019  0.86906915  1
  H  H19  1  0.08018903  0.12388215  0.63093120  1
  H  H20  1  0.41981313  0.62389090  0.13093133  1
  H  H21  1  0.91981075  0.87611778  0.36906775  1
  H  H22  1  0.50043343  0.16392473  0.88446418  1
  H  H23  1  0.00043349  0.33606681  0.61553916  1
  H  H24  1  0.49956581  0.83607660  0.11553509  1
  H  H25  1  0.99956661  0.66393264  0.38446127  1
  H  H26  1  0.77671340  0.03474053  0.85240922  1
  H  H27  1  0.27671269  0.46525498  0.64759259  1
  H  H28  1  0.22328633  0.96525928  0.14758974  1
  H  H29  1  0.72328814  0.53474470  0.35240924  1
  H  H30  1  0.92937908  0.10711573  0.80752503  1
  H  H31  1  0.42937940  0.39288076  0.69247580  1
  H  H32  1  0.07062014  0.89288448  0.19247380  1
  H  H33  1  0.57062107  0.60711794  0.30752551  1
  H  H34  1  0.21306116  0.33012478  0.96673753  1
  H  H35  1  0.71306211  0.16987631  0.53326169  1
  H  H36  1  0.78693913  0.66987411  0.03326076  1
  H  H37  1  0.28693861  0.83012385  0.46673895  1
  H  H38  1  0.14719569  0.18592711  0.87434739  1
  H  H39  1  0.64719718  0.31407378  0.62565152  1
  H  H40  1  0.85280391  0.81407119  0.12565169  1
  H  H41  1  0.35280279  0.68592582  0.37434926  1
  H  H42  1  0.57957082  0.36542771  0.04390329  1
  H  H43  1  0.07957344  0.13456379  0.45609687  1
  H  H44  1  0.42042872  0.63457020  0.95609655  1
  H  H45  1  0.92042637  0.86544094  0.54390328  1
  H  H46  1  0.73793080  0.43803052  0.00722987  1
  H  H47  1  0.23793634  0.06196748  0.49277253  1
  H  H48  1  0.26206796  0.56196949  0.99277125  1
  H  H49  1  0.76206235  0.93803351  0.50722594  1
  H  H50  1  0.79294706  0.26336422  0.10538162  1
  H  H51  1  0.29294602  0.23663531  0.39461945  1
  H  H52  1  0.20705309  0.73663384  0.89461761  1
  H  H53  1  0.70705493  0.76336742  0.60538117  1
  H  H54  1  0.69031862  0.13117594  0.02472180  1
  H  H55  1  0.19031693  0.36882094  0.47528077  1
  H  H56  1  0.30968167  0.86882270  0.97527703  1
  H  H57  1  0.80968462  0.63118193  0.52472031  1
  H  H58  1  0.81037825  0.32810371  0.80689612  1
  H  H59  1  0.31038229  0.17189152  0.69310432  1
  H  H60  1  0.18962058  0.67189694  0.19310394  1
  H  H61  1  0.68961746  0.82810627  0.30689474  1
  H  H62  1  0.69817539  0.18483043  0.74980619  1
  H  H63  1  0.19817754  0.31516404  0.75019510  1
  H  H64  1  0.30182389  0.81517128  0.25019345  1
  H  H65  1  0.80182304  0.68483340  0.24980550  1
  H  H66  1  0.98151259  0.35906090  0.05720146  1
  H  H67  1  0.48151247  0.14093939  0.44279768  1
  H  H68  1  0.01848802  0.64093805  0.94279709  1
  H  H69  1  0.51848818  0.85906173  0.55720309  1
  H  H70  1  0.96709751  0.36755359  0.92702752  1
  H  H71  1  0.46709914  0.13244468  0.57297221  1
  H  H72  1  0.03290273  0.63244613  0.07297149  1
  H  H73  1  0.53290093  0.86755483  0.42702791  1
  C  C74  1  0.83759347  0.13274135  0.85789635  1
  C  C75  1  0.33759381  0.36725478  0.64210484  1
  C  C76  1  0.16240588  0.86725857  0.14210271  1
  C  C77  1  0.66240681  0.63274459  0.35789638  1
  C  C78  1  0.13875701  0.23990335  0.95392876  1
  C  C79  1  0.63875750  0.26009700  0.54607047  1
  C  C80  1  0.86124296  0.76009597  0.04607011  1
  C  C81  1  0.36124286  0.73990295  0.45393035  1
  C  C82  1  0.67388560  0.33992029  0.99513795  1
  C  C83  1  0.17388704  0.16007461  0.50486304  1
  C  C84  1  0.32611419  0.66007888  0.00486196  1
  C  C85  1  0.82611304  0.83992758  0.49513690  1
  C  C86  1  0.75783970  0.22402473  0.02785050  1
  C  C87  1  0.25783896  0.27597271  0.47215088  1
  C  C88  1  0.24216039  0.77597428  0.97214880  1
  C  C89  1  0.74216187  0.72402950  0.52784984  1
  C  C90  1  0.74488731  0.24055124  0.82175676  1
  C  C91  1  0.24488939  0.25944302  0.67824422  1
  C  C92  1  0.25511183  0.75944921  0.17824298  1
  C  C93  1  0.75511086  0.74055566  0.32175587  1
  C  C94  1  0.98942446  0.29717945  0.97817279  1
  C  C95  1  0.48942510  0.20281927  0.52182703  1
  C  C96  1  0.01057555  0.70282018  0.02182608  1
  C  C97  1  0.51057528  0.79718077  0.47817354  1
  N  N98  1  0.88380962  0.18039652  0.96345349  1
  N  N99  1  0.38380924  0.31960121  0.53654751  1
  N  N100  1  0.11619026  0.81960319  0.03654541  1
  N  N101  1  0.61619158  0.68039934  0.46345356  1
  N  N102  1  0.17882115  0.13831840  0.01345621  1
  N  N103  1  0.67882064  0.36168082  0.48654149  1
  N  N104  1  0.82117895  0.86168123  0.98654279  1
  N  N105  1  0.32117991  0.63831984  0.51346004  1
  N  N106  1  0.62838377  0.29206261  0.89133676  1
  N  N107  1  0.12838499  0.20793092  0.60866454  1
  N  N108  1  0.37161586  0.70793790  0.10866325  1
  N  N109  1  0.87161501  0.79206967  0.39133551  1
  O  O110  1  0.05123488  0.90589956  0.85498412  1
  O  O111  1  0.55123921  0.59409636  0.64501347  1
  O  O112  1  0.94876516  0.09410014  0.14501505  1
  O  O113  1  0.44876120  0.40590375  0.35498785  1
  O  O114  1  0.02690555  0.97248018  0.66792112  1
  O  O115  1  0.52690500  0.52750955  0.83207374  1
  O  O116  1  0.97309648  0.02751997  0.33207787  1
  O  O117  1  0.47309509  0.47249232  0.16792830  1
  O  O118  1  0.92473851  0.41147175  0.61963087  1
  O  O119  1  0.42474033  0.08851809  0.88037252  1
  O  O120  1  0.07526078  0.58852726  0.38037053  1
  O  O121  1  0.57525749  0.91148446  0.11962619  1
  O  O122  1  0.04102027  0.68376867  0.67101880  1
  O  O123  1  0.54102370  0.81622303  0.82898041  1
  O  O124  1  0.95897669  0.31623160  0.32898004  1
  O  O125  1  0.45897563  0.18377823  0.17102031  1
  O  O126  1  0.28943053  0.85225507  0.71555084  1
  O  O127  1  0.78943262  0.64773612  0.78445062  1
  O  O128  1  0.71056944  0.14774166  0.28444891  1
  O  O129  1  0.21056735  0.35226519  0.21555062  1
  O  O130  1  0.04525928  0.51977493  0.83059062  1
  O  O131  1  0.54525162  0.98022019  0.66940815  1
  O  O132  1  0.95474218  0.48023398  0.16941195  1
  O  O133  1  0.45474419  0.01977219  0.33058842  1
