# generated using pymatgen
data_Mn2VFe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36197650
_cell_length_b   9.71759760
_cell_length_c   13.66525501
_cell_angle_alpha   103.41491048
_cell_angle_beta   90.00001593
_cell_angle_gamma   90.00013671
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VFe2H32C12(NO2)6
_chemical_formula_sum   'Mn4 V2 Fe4 H64 C24 N12 O24'
_cell_volume   1209.28885535
_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
  Fe  Fe0  1  0.09780123  0.86855967  0.73314448  1
  Fe  Fe1  1  0.59780444  0.63143167  0.76685542  1
  Fe  Fe2  1  0.90219716  0.13143913  0.26685358  1
  Fe  Fe3  1  0.40219454  0.36857009  0.23314732  1
  Mn  Mn4  1  0.95253708  0.55715254  0.72379479  1
  Mn  Mn5  1  0.45253727  0.94283882  0.77620810  1
  Mn  Mn6  1  0.04746179  0.44284958  0.27620656  1
  Mn  Mn7  1  0.54746118  0.05716039  0.22379017  1
  V  V8  1  -0.00000041  0.99999934  0.99999949  1
  V  V9  1  0.50000031  0.50000038  0.50000109  1
  H  H10  1  0.19400125  0.20000070  0.09050673  1
  H  H11  1  0.69399751  0.29999751  0.40948828  1
  H  H12  1  0.80599867  0.79999932  0.90949273  1
  H  H13  1  0.30600424  0.70000363  0.59051364  1
  H  H14  1  0.27989636  0.10251423  0.99039196  1
  H  H15  1  0.77989643  0.39748325  0.50960112  1
  H  H16  1  0.72010422  0.89748613  0.00960800  1
  H  H17  1  0.22010488  0.60251703  0.49040102  1
  H  H18  1  0.55084467  0.43283417  0.85581306  1
  H  H19  1  0.05084718  0.06715573  0.64418387  1
  H  H20  1  0.44915475  0.56716800  0.14419004  1
  H  H21  1  0.94915291  0.93284576  0.35581561  1
  H  H22  1  0.54485296  0.22056067  0.88522931  1
  H  H23  1  0.04485166  0.27943044  0.61477178  1
  H  H24  1  0.45514543  0.77944031  0.11476839  1
  H  H25  1  0.95514722  0.72057023  0.38522938  1
  H  H26  1  0.77591447  0.03465024  0.85032876  1
  H  H27  1  0.27591253  0.46534729  0.64967241  1
  H  H28  1  0.22408491  0.96535003  0.14966953  1
  H  H29  1  0.72408834  0.53465173  0.35033031  1
  H  H30  1  0.92589237  0.10940066  0.80383044  1
  H  H31  1  0.42589142  0.39059921  0.69617243  1
  H  H32  1  0.07410611  0.89059892  0.19616765  1
  H  H33  1  0.57410919  0.60939784  0.30382874  1
  H  H34  1  0.21727420  0.33179042  0.96607378  1
  H  H35  1  0.71727458  0.16820947  0.53392286  1
  H  H36  1  0.78272590  0.66820850  0.03392513  1
  H  H37  1  0.28272613  0.83179056  0.46607793  1
  H  H38  1  0.15390373  0.18451493  0.87483773  1
  H  H39  1  0.65390795  0.31548678  0.62515870  1
  H  H40  1  0.84609786  0.81548332  0.12516097  1
  H  H41  1  0.34609343  0.68451258  0.37484300  1
  H  H42  1  0.58292118  0.36667249  0.04811386  1
  H  H43  1  0.08292059  0.13332193  0.45188556  1
  H  H44  1  0.41707978  0.63332506  0.95188511  1
  H  H45  1  0.91707810  0.86668155  0.54811388  1
  H  H46  1  0.73908186  0.43347976  0.00378087  1
  H  H47  1  0.23908622  0.06651877  0.49621843  1
  H  H48  1  0.26091654  0.56651999  0.99621887  1
  H  H49  1  0.76091216  0.93348195  0.50378015  1
  H  H50  1  0.79541682  0.26120450  0.10517574  1
  H  H51  1  0.29541576  0.23879867  0.39482557  1
  H  H52  1  0.20458384  0.73879436  0.89482304  1
  H  H53  1  0.70458570  0.76120383  0.60517621  1
  H  H54  1  0.69274078  0.12900470  0.02464384  1
  H  H55  1  0.19273907  0.37099367  0.47535967  1
  H  H56  1  0.30726012  0.87099384  0.97535514  1
  H  H57  1  0.80726318  0.62900891  0.52464113  1
  H  H58  1  0.80499715  0.33240329  0.81216462  1
  H  H59  1  0.30499982  0.16759443  0.68783533  1
  H  H60  1  0.19500303  0.66759767  0.18783478  1
  H  H61  1  0.69499892  0.83240196  0.31216265  1
  H  H62  1  0.69744657  0.18892571  0.74928686  1
  H  H63  1  0.19744726  0.31106907  0.75071372  1
  H  H64  1  0.30255334  0.81107606  0.25071217  1
  H  H65  1  0.80255300  0.68892684  0.24928656  1
  H  H66  1  0.98442800  0.35737639  0.05527084  1
  H  H67  1  0.48442592  0.14262325  0.44472973  1
  H  H68  1  0.01557202  0.64262287  0.94472811  1
  H  H69  1  0.51557491  0.85737747  0.55527036  1
  H  H70  1  0.96787495  0.36792519  0.92566291  1
  H  H71  1  0.46787765  0.13207431  0.57433792  1
  H  H72  1  0.03212658  0.63207448  0.07433595  1
  H  H73  1  0.53212343  0.86792480  0.42566153  1
  C  C74  1  0.83585139  0.13311689  0.85586135  1
  C  C75  1  0.33585106  0.36688261  0.64414064  1
  C  C76  1  0.16414789  0.86688423  0.14413765  1
  C  C77  1  0.66415000  0.63311572  0.35586097  1
  C  C78  1  0.14291979  0.24198866  0.95352405  1
  C  C79  1  0.64292020  0.25801117  0.54647346  1
  C  C80  1  0.85708068  0.75801070  0.04647546  1
  C  C81  1  0.35708034  0.74198877  0.45352771  1
  C  C82  1  0.67344567  0.33779221  0.99598093  1
  C  C83  1  0.17344910  0.16220527  0.50401926  1
  C  C84  1  0.32655257  0.66220690  0.00401806  1
  C  C85  1  0.82655035  0.83779602  0.49598038  1
  C  C86  1  0.75940523  0.22255125  0.02776848  1
  C  C87  1  0.25940510  0.27744762  0.47223342  1
  C  C88  1  0.24059514  0.77744722  0.97223040  1
  C  C89  1  0.74059558  0.72255384  0.52776752  1
  C  C90  1  0.74148594  0.24183832  0.82270808  1
  C  C91  1  0.24148988  0.25815814  0.67729308  1
  C  C92  1  0.25851172  0.75816271  0.17729129  1
  C  C93  1  0.75850994  0.74183956  0.32270679  1
  C  C94  1  0.99214259  0.29756854  0.97618645  1
  C  C95  1  0.49214260  0.20243140  0.52381413  1
  C  C96  1  0.00785836  0.70243059  0.02381182  1
  C  C97  1  0.50785859  0.79756886  0.47618673  1
  N  N98  1  0.88554418  0.17945237  0.96161189  1
  N  N99  1  0.38554443  0.32054739  0.53839011  1
  N  N100  1  0.11445572  0.82054708  0.03838672  1
  N  N101  1  0.61445562  0.67945256  0.46161127  1
  N  N102  1  0.18185546  0.14336362  0.01702195  1
  N  N103  1  0.68185510  0.35663498  0.48297409  1
  N  N104  1  0.81814601  0.85663477  0.98297633  1
  N  N105  1  0.31814675  0.64336650  0.51702836  1
  N  N106  1  0.62485939  0.29536098  0.89200614  1
  N  N107  1  0.12485863  0.20463359  0.60799475  1
  N  N108  1  0.37514208  0.70463894  0.10799318  1
  N  N109  1  0.87514019  0.79536663  0.39200525  1
  O  O110  1  0.04903345  0.92626397  0.87353297  1
  O  O111  1  0.54904103  0.57373398  0.62646649  1
  O  O112  1  0.95096661  0.07373565  0.12646586  1
  O  O113  1  0.45095925  0.42626627  0.37353615  1
  O  O114  1  0.00050236  0.98881994  0.66806855  1
  O  O115  1  0.50049961  0.51116654  0.83192474  1
  O  O116  1  0.99949709  0.01118216  0.33193197  1
  O  O117  1  0.49950103  0.48883744  0.16807984  1
  O  O118  1  0.90936225  0.42067147  0.62934884  1
  O  O119  1  0.40936707  0.07931852  0.87065689  1
  O  O120  1  0.09063816  0.57932481  0.37065705  1
  O  O121  1  0.59063063  0.92068515  0.12933683  1
  O  O122  1  0.04657944  0.67858116  0.67259174  1
  O  O123  1  0.54658078  0.82140917  0.82740815  1
  O  O124  1  0.95341471  0.32141932  0.32740571  1
  O  O125  1  0.45341731  0.17859363  0.17259243  1
  O  O126  1  0.29956033  0.85518694  0.71883710  1
  O  O127  1  0.79956279  0.64480666  0.78116875  1
  O  O128  1  0.70043748  0.14480927  0.28116232  1
  O  O129  1  0.20043580  0.35519564  0.21883226  1
  O  O130  1  0.04693336  0.51108043  0.81445166  1
  O  O131  1  0.54692902  0.98891564  0.68555078  1
  O  O132  1  0.95306980  0.48893092  0.18555169  1
  O  O133  1  0.45306947  0.01107799  0.31444503  1
