# generated using pymatgen
data_MnCr2Fe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38712385
_cell_length_b   9.75190373
_cell_length_c   13.69216394
_cell_angle_alpha   103.46709976
_cell_angle_beta   90.00000866
_cell_angle_gamma   90.00011960
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2Fe2H32C12(NO2)6
_chemical_formula_sum   'Mn2 Cr4 Fe4 H64 C24 N12 O24'
_cell_volume   1218.94849180
_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
  Cr  Cr0  1  0.09233429  0.85785895  0.72952349  1
  Cr  Cr1  1  0.59233817  0.64213558  0.77047705  1
  Cr  Cr2  1  0.90766360  0.14214082  0.27047618  1
  Cr  Cr3  1  0.40766129  0.35786484  0.22952350  1
  Fe  Fe4  1  0.93964314  0.55404940  0.72880377  1
  Fe  Fe5  1  0.43963907  0.94594562  0.77119563  1
  Fe  Fe6  1  0.06035666  0.44595197  0.27119575  1
  Fe  Fe7  1  0.56035884  0.05405457  0.22880417  1
  Mn  Mn8  1  0.00000018  1.00000036  0.99999978  1
  Mn  Mn9  1  0.50000059  0.50000054  0.50000007  1
  H  H10  1  0.19036416  0.19611288  0.08748899  1
  H  H11  1  0.69036352  0.30388903  0.41250934  1
  H  H12  1  0.80963633  0.80388826  0.91251061  1
  H  H13  1  0.30963805  0.69611057  0.58749089  1
  H  H14  1  0.27481292  0.10110450  0.98650396  1
  H  H15  1  0.77481425  0.39889538  0.51349414  1
  H  H16  1  0.72518682  0.89889589  0.01349574  1
  H  H17  1  0.22518650  0.60110474  0.48650648  1
  H  H18  1  0.57557117  0.38145097  0.86628747  1
  H  H19  1  0.07557241  0.11854535  0.63371445  1
  H  H20  1  0.42442843  0.61855120  0.13371339  1
  H  H21  1  0.92442760  0.88145289  0.36628446  1
  H  H22  1  0.47041665  0.17229980  0.88785309  1
  H  H23  1  -0.02958492  0.32769493  0.61214959  1
  H  H24  1  0.52958222  0.82770227  0.11214632  1
  H  H25  1  1.02958425  0.67230342  0.38785117  1
  H  H26  1  0.75725739  0.03619046  0.85268239  1
  H  H27  1  0.25725871  0.46380702  0.64732013  1
  H  H28  1  0.24274236  0.96381086  0.14731655  1
  H  H29  1  0.74274244  0.53619158  0.35268190  1
  H  H30  1  0.90855183  0.09561304  0.79722631  1
  H  H31  1  0.40855417  0.40438456  0.70277509  1
  H  H32  1  0.09144850  0.90438885  0.20277353  1
  H  H33  1  0.59144781  0.59561263  0.29722513  1
  H  H34  1  0.20477265  0.33380305  0.96948229  1
  H  H35  1  0.70477405  0.16619674  0.53051406  1
  H  H36  1  0.79522615  0.66619783  0.03051679  1
  H  H37  1  0.29522661  0.83380190  0.46948598  1
  H  H38  1  0.16241626  0.18520479  0.87271736  1
  H  H39  1  0.66241949  0.31479381  0.62728073  1
  H  H40  1  0.83758358  0.81479546  0.12728260  1
  H  H41  1  0.33758170  0.68520527  0.37271901  1
  H  H42  1  0.57964084  0.37011595  0.04110890  1
  H  H43  1  0.07964108  0.12988189  0.45889315  1
  H  H44  1  0.42035833  0.62988337  0.95889127  1
  H  H45  1  0.92035798  0.87012074  0.54110642  1
  H  H46  1  0.73555494  0.44279100  0.00200485  1
  H  H47  1  0.23555634  0.05720795  0.49799677  1
  H  H48  1  0.26444410  0.55720924  0.99799657  1
  H  H49  1  0.76444247  0.94279245  0.50200104  1
  H  H50  1  0.79461005  0.26917848  0.09960354  1
  H  H51  1  0.29460908  0.23082152  0.40039828  1
  H  H52  1  0.20538847  0.73082092  0.90039673  1
  H  H53  1  0.70539018  0.76918022  0.59960170  1
  H  H54  1  0.69178473  0.13670323  0.02057228  1
  H  H55  1  0.19178377  0.36329571  0.47943071  1
  H  H56  1  0.30821419  0.86329647  0.97942722  1
  H  H57  1  0.80821598  0.63670592  0.52057057  1
  H  H58  1  0.80289438  0.32316779  0.79947254  1
  H  H59  1  0.30289750  0.17682844  0.70052759  1
  H  H60  1  0.19710580  0.67683480  0.20052956  1
  H  H61  1  0.69710452  0.82316680  0.29946895  1
  H  H62  1  0.68255041  0.18641963  0.74545667  1
  H  H63  1  0.18255506  0.31357473  0.75454640  1
  H  H64  1  0.31745101  0.81358374  0.25454349  1
  H  H65  1  0.81744871  0.68641949  0.24545418  1
  H  H66  1  0.96117095  0.42224827  0.10527284  1
  H  H67  1  0.46117075  0.07775257  0.39472714  1
  H  H68  1  0.03883125  0.57775086  0.89472662  1
  H  H69  1  0.53883043  0.92224749  0.60527284  1
  H  H70  1  0.96631603  0.37828359  0.92968740  1
  H  H71  1  0.46631825  0.12171774  0.57031511  1
  H  H72  1  0.03368252  0.62171773  0.07031475  1
  H  H73  1  0.53368133  0.87828103  0.42968236  1
  C  C74  1  0.82175886  0.12915000  0.85062274  1
  C  C75  1  0.32176079  0.37084756  0.64937894  1
  C  C76  1  0.17824105  0.87085138  0.14937728  1
  C  C77  1  0.67824077  0.62915058  0.35062135  1
  C  C78  1  0.13780637  0.23856554  0.95115146  1
  C  C79  1  0.63780752  0.26143428  0.54884654  1
  C  C80  1  0.86219344  0.76143545  0.04884827  1
  C  C81  1  0.36219331  0.73856510  0.45115338  1
  C  C82  1  0.67183281  0.34490892  0.99083513  1
  C  C83  1  0.17183374  0.15508975  0.50916707  1
  C  C84  1  0.32816617  0.65509127  0.00916541  1
  C  C85  1  0.82816603  0.84491102  0.49083205  1
  C  C86  1  0.75691432  0.23041822  0.02265164  1
  C  C87  1  0.25691410  0.26958112  0.47735035  1
  C  C88  1  0.24308480  0.76958100  0.97734834  1
  C  C89  1  0.74308591  0.73042057  0.52264989  1
  C  C90  1  0.73344517  0.23974677  0.81620597  1
  C  C91  1  0.23344800  0.26024965  0.68379513  1
  C  C92  1  0.26655482  0.76025544  0.18379493  1
  C  C93  1  0.76655407  0.73974698  0.31620362  1
  C  C94  1  0.98805669  0.28338971  0.95872376  1
  C  C95  1  0.48805827  0.21660939  0.54127584  1
  C  C96  1  0.01194291  0.71661013  0.04127678  1
  C  C97  1  0.51194255  0.78339011  0.45872315  1
  N  N98  1  0.87858913  0.18368481  0.95397487  1
  N  N99  1  0.37858989  0.31631510  0.54602652  1
  N  N100  1  0.12141069  0.81631530  0.04602569  1
  N  N101  1  0.62141088  0.68368507  0.45397327  1
  N  N102  1  0.17654897  0.14057161  0.01427061  1
  N  N103  1  0.67654978  0.35942942  0.48572834  1
  N  N104  1  0.82345095  0.85942955  0.98572947  1
  N  N105  1  0.32345144  0.64057027  0.51427191  1
  N  N106  1  0.62251482  0.29754987  0.88809540  1
  N  N107  1  0.12251610  0.20244779  0.61190685  1
  N  N108  1  0.37748441  0.70245175  0.11190502  1
  N  N109  1  0.87748404  0.79755093  0.38809277  1
  O  O110  1  0.05517161  0.90280226  0.85426515  1
  O  O111  1  0.55517872  0.59719794  0.64573846  1
  O  O112  1  0.94482687  0.09719882  0.14573581  1
  O  O113  1  0.44482197  0.40280163  0.35426190  1
  O  O114  1  0.01581007  0.96960991  0.67152450  1
  O  O115  1  0.51580958  0.53038896  0.82847328  1
  O  O116  1  0.98418865  0.03039223  0.32847515  1
  O  O117  1  0.48418913  0.46961138  0.17152729  1
  O  O118  1  0.89493636  0.40141149  0.62190449  1
  O  O119  1  0.39493903  0.09858120  0.87809817  1
  O  O120  1  0.10506288  0.59858619  0.37809706  1
  O  O121  1  0.60505995  0.90142097  0.12190068  1
  O  O122  1  0.03596042  0.68931261  0.67289060  1
  O  O123  1  0.53597034  0.81067848  0.82710912  1
  O  O124  1  0.96403507  0.31068730  0.32710799  1
  O  O125  1  0.46402817  0.18932171  0.17289120  1
  O  O126  1  0.27504312  0.85140586  0.70713968  1
  O  O127  1  0.77503936  0.64858789  0.79286519  1
  O  O128  1  0.72495692  0.14859391  0.29286078  1
  O  O129  1  0.22495997  0.35141190  0.20713613  1
  O  O130  1  0.04372398  0.50295019  0.83299352  1
  O  O131  1  0.54371814  0.99704904  0.66700697  1
  O  O132  1  0.95627817  0.49705091  0.16700537  1
  O  O133  1  0.45628062  0.00295166  0.33299334  1
