# generated using pymatgen
data_Mn2V2FeH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35858803
_cell_length_b   9.71560271
_cell_length_c   13.67202347
_cell_angle_alpha   103.39329902
_cell_angle_beta   90.00000870
_cell_angle_gamma   90.00012819
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2V2FeH32C12(NO2)6
_chemical_formula_sum   'Mn4 V4 Fe2 H64 C24 N12 O24'
_cell_volume   1209.31032969
_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  0.09942581  0.86063138  0.73278039  1
  V  V1  1  0.59942843  0.63936207  0.76721954  1
  V  V2  1  0.90057342  0.13936840  0.26721913  1
  V  V3  1  0.40057141  0.36063886  0.23278157  1
  Mn  Mn4  1  0.95654811  0.55012730  0.72794994  1
  Mn  Mn5  1  0.45654861  0.94986387  0.77205113  1
  Mn  Mn6  1  0.04345136  0.44987394  0.27205026  1
  Mn  Mn7  1  0.54344968  0.05013592  0.22794801  1
  Fe  Fe8  1  -0.00000010  1.00000006  0.99999981  1
  Fe  Fe9  1  0.49999996  0.50000009  0.50000058  1
  H  H10  1  0.19794616  0.19615107  0.08755194  1
  H  H11  1  0.69794275  0.30384936  0.41244687  1
  H  H12  1  0.80205463  0.80384971  0.91244781  1
  H  H13  1  0.30205824  0.69615187  0.58755498  1
  H  H14  1  0.28388711  0.10597246  0.98561492  1
  H  H15  1  0.78388743  0.39402683  0.51438310  1
  H  H16  1  0.71611206  0.89402731  0.01438452  1
  H  H17  1  0.21611227  0.60597408  0.48561918  1
  H  H18  1  0.57615532  0.37621047  0.86779098  1
  H  H19  1  0.07615862  0.12378189  0.63220984  1
  H  H20  1  0.42384450  0.62379033  0.13220957  1
  H  H21  1  0.92384097  0.87621843  0.36778946  1
  H  H22  1  0.50697475  0.16918217  0.88507020  1
  H  H23  1  0.00697378  0.33080942  0.61493245  1
  H  H24  1  0.49302408  0.83081834  0.11492794  1
  H  H25  1  0.99302611  0.66919064  0.38506908  1
  H  H26  1  0.77581154  0.03676415  0.85083881  1
  H  H27  1  0.27581158  0.46323202  0.64916334  1
  H  H28  1  0.22418823  0.96323663  0.14915981  1
  H  H29  1  0.72418928  0.53676739  0.35083911  1
  H  H30  1  0.92723217  0.11085813  0.80572609  1
  H  H31  1  0.42723278  0.38913893  0.69427604  1
  H  H32  1  0.07276731  0.88914267  0.19427266  1
  H  H33  1  0.57276835  0.61085887  0.30572491  1
  H  H34  1  0.21306736  0.33295359  0.96480632  1
  H  H35  1  0.71306746  0.16704589  0.53519140  1
  H  H36  1  0.78693308  0.66704572  0.03519235  1
  H  H37  1  0.28693322  0.83295421  0.46480952  1
  H  H38  1  0.14763882  0.18649871  0.87426505  1
  H  H39  1  0.64764055  0.31349985  0.62573415  1
  H  H40  1  0.85236090  0.81350016  0.12573451  1
  H  H41  1  0.35235946  0.68649913  0.37426683  1
  H  H42  1  0.57738934  0.36636461  0.04294239  1
  H  H43  1  0.07739068  0.13363001  0.45705906  1
  H  H44  1  0.42261037  0.63363396  0.95705766  1
  H  H45  1  0.92260880  0.86637291  0.54294046  1
  H  H46  1  0.73489989  0.43962307  0.00528490  1
  H  H47  1  0.23490340  0.06037389  0.49471611  1
  H  H48  1  0.26509923  0.56037651  0.99471581  1
  H  H49  1  0.76509543  0.93962682  0.50528240  1
  H  H50  1  0.79109047  0.26622981  0.10458142  1
  H  H51  1  0.29108912  0.23377075  0.39542025  1
  H  H52  1  0.20890983  0.73376863  0.89541798  1
  H  H53  1  0.70891198  0.76623131  0.60458029  1
  H  H54  1  0.68925450  0.13309453  0.02381235  1
  H  H55  1  0.18925239  0.36690263  0.47619093  1
  H  H56  1  0.31074622  0.86690427  0.97618625  1
  H  H57  1  0.81074930  0.63309949  0.52381014  1
  H  H58  1  0.80668696  0.33188228  0.80734549  1
  H  H59  1  0.30668960  0.16811374  0.69265640  1
  H  H60  1  0.19331193  0.66811939  0.19265446  1
  H  H61  1  0.69331042  0.83188310  0.30734162  1
  H  H62  1  0.69584541  0.18774032  0.74866667  1
  H  H63  1  0.19584640  0.31225411  0.75133484  1
  H  H64  1  0.30415409  0.81226211  0.25133283  1
  H  H65  1  0.80415470  0.68774167  0.24866554  1
  H  H66  1  0.98157377  0.35975556  0.05728567  1
  H  H67  1  0.48157268  0.14024538  0.44271399  1
  H  H68  1  0.01842701  0.64024482  0.94271326  1
  H  H69  1  0.51842806  0.85975428  0.55728672  1
  H  H70  1  0.96807538  0.36891179  0.92709284  1
  H  H71  1  0.46807590  0.13108648  0.57290685  1
  H  H72  1  0.03192483  0.63108799  0.07290617  1
  H  H73  1  0.53192455  0.86891302  0.42709348  1
  C  C74  1  0.83561008  0.13545047  0.85625245  1
  C  C75  1  0.33561052  0.36454610  0.64374947  1
  C  C76  1  0.16438989  0.86455010  0.14374614  1
  C  C77  1  0.66439047  0.63545285  0.35625161  1
  C  C78  1  0.14003651  0.24190423  0.95362228  1
  C  C79  1  0.64003698  0.25809521  0.54637677  1
  C  C80  1  0.85996352  0.75809544  0.04637700  1
  C  C81  1  0.35996327  0.74190451  0.45362431  1
  C  C82  1  0.67131808  0.34147549  0.99404794  1
  C  C83  1  0.17132000  0.15852012  0.50595348  1
  C  C84  1  0.32868156  0.65852399  0.00595217  1
  C  C85  1  0.82867965  0.84148112  0.49404604  1
  C  C86  1  0.75620459  0.22642599  0.02697248  1
  C  C87  1  0.25620404  0.27357200  0.47302957  1
  C  C88  1  0.24379556  0.77357314  0.97302671  1
  C  C89  1  0.74379671  0.72642931  0.52697114  1
  C  C90  1  0.74201899  0.24304263  0.82097347  1
  C  C91  1  0.24202089  0.25695263  0.67902823  1
  C  C92  1  0.25798065  0.75695874  0.17902629  1
  C  C93  1  0.75797968  0.74304542  0.32097125  1
  C  C94  1  0.99026060  0.29845581  0.97816957  1
  C  C95  1  0.49026079  0.20154356  0.52183061  1
  C  C96  1  0.00973949  0.70154392  0.02182936  1
  C  C97  1  0.50973966  0.79845649  0.47817027  1
  N  N98  1  0.88267822  0.18236017  0.96227278  1
  N  N99  1  0.38267789  0.31763844  0.53772921  1
  N  N100  1  0.11732207  0.81763990  0.03772629  1
  N  N101  1  0.61732303  0.68236178  0.46227151  1
  N  N102  1  0.18479318  0.14211553  0.01397198  1
  N  N103  1  0.68479253  0.35788444  0.48602700  1
  N  N104  1  0.81520668  0.85788423  0.98602766  1
  N  N105  1  0.31520742  0.64211587  0.51397445  1
  N  N106  1  0.62567340  0.29313665  0.89045586  1
  N  N107  1  0.12567551  0.20685725  0.60954557  1
  N  N108  1  0.37432611  0.70686370  0.10954395  1
  N  N109  1  0.87432438  0.79314314  0.39045410  1
  O  O110  1  0.05001799  0.91004618  0.86020265  1
  O  O111  1  0.55002352  0.58995332  0.63979659  1
  O  O112  1  0.94998065  0.08995323  0.13979674  1
  O  O113  1  0.44997593  0.41004637  0.36020500  1
  O  O114  1  0.02766544  0.97651192  0.67179041  1
  O  O115  1  0.52766395  0.52347900  0.82820573  1
  O  O116  1  0.97233496  0.02348918  0.32820961  1
  O  O117  1  0.47233642  0.47652272  0.17179615  1
  O  O118  1  0.93297409  0.40875376  0.61669213  1
  O  O119  1  0.43297730  0.09123529  0.88331093  1
  O  O120  1  0.06702457  0.59124553  0.38331005  1
  O  O121  1  0.56702019  0.90876634  0.11668691  1
  O  O122  1  0.04021553  0.69023826  0.67104231  1
  O  O123  1  0.54021924  0.80975494  0.82895829  1
  O  O124  1  0.95978048  0.30976280  0.32895642  1
  O  O125  1  0.45977960  0.19024601  0.17104173  1
  O  O126  1  0.28809337  0.85439449  0.71872967  1
  O  O127  1  0.78809584  0.64559792  0.78127213  1
  O  O128  1  0.71190591  0.14560281  0.28127031  1
  O  O129  1  0.21190434  0.35440375  0.21872864  1
  O  O130  1  0.04689318  0.51892084  0.82958888  1
  O  O131  1  0.54688945  0.98107518  0.67041149  1
  O  O132  1  0.95310991  0.48108446  0.17041139  1
  O  O133  1  0.45310957  0.01892204  0.32958689  1
