# generated using pymatgen
data_Mn3V2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37902522
_cell_length_b   9.73478575
_cell_length_c   13.65189013
_cell_angle_alpha   103.45607811
_cell_angle_beta   89.99994385
_cell_angle_gamma   90.00019355
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3V2H32C12(NO2)6
_chemical_formula_sum   'Mn6 V4 H64 C24 N12 O24'
_cell_volume   1212.23883808
_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  0.09290231  0.85110916  0.73561038  1
  Mn  Mn1  1  0.59291841  0.64888281  0.76439761  1
  Mn  Mn2  1  0.90709709  0.14888857  0.26439109  1
  Mn  Mn3  1  0.40708015  0.35112087  0.23560034  1
  V  V4  1  0.94526932  0.55969689  0.71791881  1
  V  V5  1  0.44525285  0.94029519  0.78208475  1
  V  V6  1  0.05473350  0.44030897  0.28208196  1
  V  V7  1  0.55474956  0.05970095  0.21791521  1
  Mn  Mn8  1  -0.00000359  1.00000295  0.99999719  1
  Mn  Mn9  1  0.49999696  0.49999690  0.50000261  1
  H  H10  1  0.18225804  0.19926318  0.09775010  1
  H  H11  1  0.68225687  0.30073660  0.40224428  1
  H  H12  1  0.81774629  0.80073283  0.90224800  1
  H  H13  1  0.31774844  0.69926800  0.59775815  1
  H  H14  1  0.26728496  0.10130559  0.99815095  1
  H  H15  1  0.76729210  0.39868941  0.50184141  1
  H  H16  1  0.73271486  0.89869141  0.00184572  1
  H  H17  1  0.23270871  0.60131418  0.49816272  1
  H  H18  1  0.52822197  0.46518072  0.86776877  1
  H  H19  1  0.02822501  0.03482455  0.63224102  1
  H  H20  1  0.47178252  0.53482028  0.13222564  1
  H  H21  1  0.97178121  0.96517440  0.36776574  1
  H  H22  1  0.53159966  0.22759161  0.89479140  1
  H  H23  1  0.03160239  0.27240259  0.60520702  1
  H  H24  1  0.46840230  0.77240791  0.10520891  1
  H  H25  1  0.96840068  0.72759798  0.39479343  1
  H  H26  1  0.76522286  0.04347861  0.85537365  1
  H  H27  1  0.26521811  0.45651543  0.64462806  1
  H  H28  1  0.23477786  0.95652223  0.14461966  1
  H  H29  1  0.73478439  0.54348390  0.35537922  1
  H  H30  1  0.91300599  0.11791817  0.80760605  1
  H  H31  1  0.41300767  0.38208349  0.69239440  1
  H  H32  1  0.08699187  0.88209071  0.19239005  1
  H  H33  1  0.58699249  0.61790656  0.30760861  1
  H  H34  1  0.21153957  0.32679173  0.96793822  1
  H  H35  1  0.71154093  0.17320814  0.53205914  1
  H  H36  1  0.78845959  0.67320809  0.03206167  1
  H  H37  1  0.28845906  0.82679126  0.46793990  1
  H  H38  1  0.14496372  0.17697839  0.88061791  1
  H  H39  1  0.64496563  0.32302390  0.61937874  1
  H  H40  1  0.85503691  0.82302144  0.11938068  1
  H  H41  1  0.35503641  0.67697463  0.38062243  1
  H  H42  1  0.57919092  0.38612361  0.06462033  1
  H  H43  1  0.07918686  0.11386446  0.43537661  1
  H  H44  1  0.42081071  0.61386834  0.93537873  1
  H  H45  1  0.92081592  0.88614491  0.56462492  1
  H  H46  1  0.73429729  0.44287856  0.00227738  1
  H  H47  1  0.23430364  0.05711829  0.49771942  1
  H  H48  1  0.26569949  0.55712176  0.99772445  1
  H  H49  1  0.76569327  0.94288141  0.50227768  1
  H  H50  1  0.79087829  0.27684041  0.10814169  1
  H  H51  1  0.29088446  0.22316665  0.39185708  1
  H  H52  1  0.20911902  0.72315290  0.89185460  1
  H  H53  1  0.70911316  0.77684071  0.60814644  1
  H  H54  1  0.68562413  0.14338720  0.03059111  1
  H  H55  1  0.18562452  0.35661409  0.46940845  1
  H  H56  1  0.31437537  0.85660992  0.96940410  1
  H  H57  1  0.81437538  0.64338953  0.53059630  1
  H  H58  1  0.78534788  0.33699751  0.81150859  1
  H  H59  1  0.28535159  0.16300011  0.68849557  1
  H  H60  1  0.21465091  0.66301303  0.18849743  1
  H  H61  1  0.71464934  0.83698825  0.31149705  1
  H  H62  1  0.67601976  0.19118906  0.75474051  1
  H  H63  1  0.17601846  0.30880509  0.74525605  1
  H  H64  1  0.32397698  0.80882026  0.24525732  1
  H  H65  1  0.82398079  0.69118465  0.25474622  1
  H  H66  1  0.97993525  0.36648989  0.05601167  1
  H  H67  1  0.47993774  0.13351279  0.44398742  1
  H  H68  1  0.02006241  0.63350958  0.94398856  1
  H  H69  1  0.52006062  0.86648842  0.55601208  1
  H  H70  1  0.96917995  0.36974992  0.92330624  1
  H  H71  1  0.46918219  0.13025141  0.57669145  1
  H  H72  1  0.03082071  0.63025032  0.07669332  1
  H  H73  1  0.53081878  0.86974755  0.42330813  1
  C  C74  1  0.82355635  0.14259914  0.85977299  1
  C  C75  1  0.32355883  0.35739962  0.64022776  1
  C  C76  1  0.17644123  0.85740474  0.14022426  1
  C  C77  1  0.67644031  0.64259611  0.35977505  1
  C  C78  1  0.13456022  0.23970640  0.95793433  1
  C  C79  1  0.63456323  0.26029407  0.54206150  1
  C  C80  1  0.86544005  0.76029169  0.04206498  1
  C  C81  1  0.36543805  0.73970747  0.45793922  1
  C  C82  1  0.66759103  0.34952863  0.99915834  1
  C  C83  1  0.16759471  0.15046884  0.50084063  1
  C  C84  1  0.33240992  0.65046994  0.00084263  1
  C  C85  1  0.83240691  0.84953269  0.49915825  1
  C  C86  1  0.75329591  0.23563883  0.03123096  1
  C  C87  1  0.25330010  0.26436553  0.46876817  1
  C  C88  1  0.24670197  0.76435904  0.96876537  1
  C  C89  1  0.74669853  0.73563745  0.53123517  1
  C  C90  1  0.72352413  0.24772665  0.82625524  1
  C  C91  1  0.22352861  0.25227067  0.67374421  1
  C  C92  1  0.27647135  0.75228205  0.17374466  1
  C  C93  1  0.77646827  0.74772010  0.32625537  1
  C  C94  1  0.98609383  0.30238343  0.97739957  1
  C  C95  1  0.48609509  0.19761890  0.52259788  1
  C  C96  1  0.01390673  0.69761580  0.02259929  1
  C  C97  1  0.51390620  0.80238131  0.47740209  1
  N  N98  1  0.87527881  0.19079284  0.96417817  1
  N  N99  1  0.37528178  0.30920903  0.53582238  1
  N  N100  1  0.12472028  0.80920574  0.03581987  1
  N  N101  1  0.62471829  0.69079230  0.46417921  1
  N  N102  1  0.17024667  0.14461165  0.02374917  1
  N  N103  1  0.67025050  0.35538872  0.47624601  1
  N  N104  1  0.82975648  0.85538470  0.97624803  1
  N  N105  1  0.32975209  0.64461421  0.52375642  1
  N  N106  1  0.61070451  0.30347105  0.89887855  1
  N  N107  1  0.11071196  0.19652580  0.60112017  1
  N  N108  1  0.38929311  0.69653075  0.10112305  1
  N  N109  1  0.88928697  0.80347280  0.39887796  1
  O  O110  1  0.05078449  0.95866659  0.86290031  1
  O  O111  1  0.55078884  0.54133848  0.63710099  1
  O  O112  1  0.94920901  0.04134169  0.13709603  1
  O  O113  1  0.44920580  0.45865279  0.36290268  1
  O  O114  1  -0.01370208  0.94545504  0.64327033  1
  O  O115  1  0.48630169  0.55454556  0.85673351  1
  O  O116  1  1.01369804  0.05454415  0.35673121  1
  O  O117  1  0.51369664  0.44545706  0.14326569  1
  O  O118  1  0.90078090  0.41141518  0.63024063  1
  O  O119  1  0.40077581  0.08857954  0.86976904  1
  O  O120  1  0.09922368  0.58858870  0.36976072  1
  O  O121  1  0.59922753  0.91141736  0.13023090  1
  O  O122  1  0.06107966  0.66458342  0.66006631  1
  O  O123  1  0.56108807  0.83541894  0.83992759  1
  O  O124  1  0.93892379  0.33541816  0.33993105  1
  O  O125  1  0.43891527  0.16458131  0.16007510  1
  O  O126  1  0.29301810  0.82943389  0.73800564  1
  O  O127  1  0.79303156  0.67054671  0.76201152  1
  O  O128  1  0.70698064  0.17056474  0.26199907  1
  O  O129  1  0.20696735  0.32945562  0.23798512  1
  O  O130  1  0.02739211  0.51909124  0.81845866  1
  O  O131  1  0.52734867  0.98089454  0.68153368  1
  O  O132  1  0.97260597  0.48091727  0.18154419  1
  O  O133  1  0.47264845  0.01909976  0.31846411  1
