# generated using pymatgen
data_MnV2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35693575
_cell_length_b   9.71580071
_cell_length_c   13.64643663
_cell_angle_alpha   103.56134296
_cell_angle_beta   90.00000785
_cell_angle_gamma   90.00016628
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Ni2H32C12(NO2)6
_chemical_formula_sum   'Mn2 V4 Ni4 H64 C24 N12 O24'
_cell_volume   1206.01061572
_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  0.09926324  0.84479907  0.74244137  1
  Ni  Ni1  1  0.59917871  0.65535423  0.75764372  1
  Ni  Ni2  1  0.90106053  0.15528272  0.25781795  1
  Ni  Ni3  1  0.40094331  0.34479198  0.24226205  1
  V  V4  1  0.94502814  0.54820204  0.73278213  1
  V  V5  1  0.44513333  0.95177791  0.76720376  1
  V  V6  1  0.05498279  0.45181027  0.26720419  1
  V  V7  1  0.55508948  0.04819278  0.23277691  1
  Mn  Mn8  1  0.00100491  0.99869108  1.00033825  1
  Mn  Mn9  1  0.50108461  0.50146070  0.49971192  1
  H  H10  1  0.18601071  0.20313359  0.09219253  1
  H  H11  1  0.68599879  0.29692335  0.40782753  1
  H  H12  1  0.81374105  0.79676201  0.90791905  1
  H  H13  1  0.31377452  0.70329606  0.59209183  1
  H  H14  1  0.27041393  0.10016344  0.99340409  1
  H  H15  1  0.77037959  0.39982764  0.50664162  1
  H  H16  1  0.72994444  0.90020541  0.00689217  1
  H  H17  1  0.22994643  0.59982079  0.49315001  1
  H  H18  1  0.54824979  0.45120068  0.86497254  1
  H  H19  1  0.04839561  0.04907332  0.63523324  1
  H  H20  1  0.45157179  0.54889106  0.13503084  1
  H  H21  1  0.95177562  0.95138911  0.36521076  1
  H  H22  1  0.53188279  0.22201327  0.88906186  1
  H  H23  1  0.03184909  0.27793661  0.61089292  1
  H  H24  1  0.46796944  0.77809262  0.11093143  1
  H  H25  1  0.96789610  0.72185814  0.38896024  1
  H  H26  1  0.76650874  0.03258906  0.85422219  1
  H  H27  1  0.26646828  0.46732372  0.64576891  1
  H  H28  1  0.23353273  0.96774027  0.14581338  1
  H  H29  1  0.73348389  0.53219326  0.35415632  1
  H  H30  1  0.91691576  0.10240595  0.80553119  1
  H  H31  1  0.41687062  0.39753811  0.69451220  1
  H  H32  1  0.08299712  0.89801451  0.19446468  1
  H  H33  1  0.58289915  0.60193263  0.30556492  1
  H  H34  1  0.21055210  0.32660192  0.96395811  1
  H  H35  1  0.71056134  0.17336622  0.53600219  1
  H  H36  1  0.78944521  0.67299927  0.03619725  1
  H  H37  1  0.28945519  0.82699726  0.46377670  1
  H  H38  1  0.14871937  0.17517711  0.87501758  1
  H  H39  1  0.64866347  0.32473057  0.62498078  1
  H  H40  1  0.85106231  0.82451278  0.12511483  1
  H  H41  1  0.35099983  0.67544103  0.37487475  1
  H  H42  1  0.55303658  0.41372660  0.10142356  1
  H  H43  1  0.05317472  0.08659595  0.39879328  1
  H  H44  1  0.44687730  0.58659147  0.89834550  1
  H  H45  1  0.94693762  0.91374463  0.60178237  1
  H  H46  1  0.72666078  0.44209815  0.00641708  1
  H  H47  1  0.22674940  0.05800362  0.49363223  1
  H  H48  1  0.27312194  0.55791020  0.99346152  1
  H  H49  1  0.77316888  0.94210013  0.50660248  1
  H  H50  1  0.79331522  0.27148119  0.10528814  1
  H  H51  1  0.29341685  0.22851316  0.39467804  1
  H  H52  1  0.20659767  0.72880684  0.89465896  1
  H  H53  1  0.70671243  0.77113616  0.60530827  1
  H  H54  1  0.68889709  0.13503732  0.03039276  1
  H  H55  1  0.18897765  0.36490769  0.46956297  1
  H  H56  1  0.31114204  0.86516942  0.96968386  1
  H  H57  1  0.81115474  0.63472403  0.53020815  1
  H  H58  1  0.79143764  0.32270636  0.80434933  1
  H  H59  1  0.29133972  0.17720406  0.69557558  1
  H  H60  1  0.20826696  0.67747905  0.19552377  1
  H  H61  1  0.70813349  0.82241960  0.30437566  1
  H  H62  1  0.67825508  0.17691540  0.75145934  1
  H  H63  1  0.17819804  0.32293874  0.74848013  1
  H  H64  1  0.32154990  0.82322993  0.24851455  1
  H  H65  1  0.82147125  0.67665019  0.25144311  1
  H  H66  1  0.97863747  0.36285646  0.05056272  1
  H  H67  1  0.47864559  0.13710842  0.44940862  1
  H  H68  1  0.02140475  0.63731024  0.94949095  1
  H  H69  1  0.52141822  0.86269112  0.55045815  1
  H  H70  1  0.96591465  0.36182517  0.91791301  1
  H  H71  1  0.46593935  0.13806813  0.58204648  1
  H  H72  1  0.03478320  0.63839418  0.08201863  1
  H  H73  1  0.53478903  0.86154382  0.41792219  1
  C  C74  1  0.82708947  0.13022609  0.85707543  1
  C  C75  1  0.32708201  0.36969952  0.64291514  1
  C  C76  1  0.17288522  0.87016095  0.14302015  1
  C  C77  1  0.67284625  0.62976830  0.35695628  1
  C  C78  1  0.13588890  0.23694636  0.95265336  1
  C  C79  1  0.63586603  0.26300799  0.54732714  1
  C  C80  1  0.86395966  0.76277306  0.04747894  1
  C  C81  1  0.36394303  0.73720978  0.45249464  1
  C  C82  1  0.67581961  0.33730790  0.99138729  1
  C  C83  1  0.17556950  0.16259124  0.50844837  1
  C  C84  1  0.32369124  0.66288432  0.00874048  1
  C  C85  1  0.82357403  0.83704546  0.49116560  1
  C  C86  1  0.75456682  0.22828746  0.02865148  1
  C  C87  1  0.25453018  0.27163365  0.47129320  1
  C  C88  1  0.24542998  0.77194255  0.97129483  1
  C  C89  1  0.74540872  0.72799057  0.52863734  1
  C  C90  1  0.72967396  0.23462788  0.82107922  1
  C  C91  1  0.22960331  0.26527639  0.67884277  1
  C  C92  1  0.27009962  0.76557463  0.17889853  1
  C  C93  1  0.77001356  0.73436288  0.32105124  1
  C  C94  1  0.98586649  0.29611373  0.97266764  1
  C  C95  1  0.48583562  0.20381542  0.52731261  1
  C  C96  1  0.01413703  0.70407816  0.02738986  1
  C  C97  1  0.51411369  0.79589212  0.47256924  1
  N  N98  1  0.87905305  0.18054059  0.96178572  1
  N  N99  1  0.37899418  0.31931470  0.53821717  1
  N  N100  1  0.12073903  0.82002332  0.03815412  1
  N  N101  1  0.62067266  0.67987868  0.46183895  1
  N  N102  1  0.17320124  0.14324366  0.01903918  1
  N  N103  1  0.67316762  0.35677115  0.48098399  1
  N  N104  1  0.82684031  0.85647508  0.98109781  1
  N  N105  1  0.32684833  0.64356912  0.51891082  1
  N  N106  1  0.61813969  0.29389479  0.89537290  1
  N  N107  1  0.11806403  0.20602865  0.60452863  1
  N  N108  1  0.38162520  0.70630064  0.10462488  1
  N  N109  1  0.88156541  0.79366136  0.39531913  1
  O  O110  1  0.04341108  0.94769788  0.86887437  1
  O  O111  1  0.54346193  0.55247624  0.63120284  1
  O  O112  1  0.95689778  0.05171549  0.13140664  1
  O  O113  1  0.45692404  0.44833140  0.36866089  1
  O  O114  1  0.00055094  0.97111792  0.65947823  1
  O  O115  1  0.50050591  0.52900872  0.84060837  1
  O  O116  1  0.99977415  0.02918176  0.34097391  1
  O  O117  1  0.49960127  0.47118151  0.15928073  1
  O  O118  1  0.90118551  0.39806460  0.64276752  1
  O  O119  1  0.40119608  0.10198154  0.85714871  1
  O  O120  1  0.09881448  0.60205771  0.35715749  1
  O  O121  1  0.59881861  0.89799146  0.14275685  1
  O  O122  1  0.04705250  0.66066221  0.67401056  1
  O  O123  1  0.54729654  0.83953643  0.82606141  1
  O  O124  1  0.95288516  0.33959394  0.32609658  1
  O  O125  1  0.45307089  0.16055183  0.17394770  1
  O  O126  1  0.29299669  0.85495893  0.70942351  1
  O  O127  1  0.79283827  0.64482216  0.79065341  1
  O  O128  1  0.70725163  0.14481606  0.29066548  1
  O  O129  1  0.20711867  0.35505697  0.20937471  1
  O  O130  1  0.04191664  0.50406267  0.82747913  1
  O  O131  1  0.54194711  0.99587645  0.67246394  1
  O  O132  1  0.95808477  0.49588035  0.17249993  1
  O  O133  1  0.45815935  0.00406471  0.32744999  1
