# generated using pymatgen
data_CrFe4H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35399114
_cell_length_b   9.71349705
_cell_length_c   13.63001505
_cell_angle_alpha   103.59237966
_cell_angle_beta   90.00009284
_cell_angle_gamma   90.00016100
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe4H32C12(NO2)6
_chemical_formula_sum   'Cr2 Fe8 H64 C24 N12 O24'
_cell_volume   1203.73728126
_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  0.08625490  0.84564438  0.72913224  1
  Fe  Fe1  1  0.58637269  0.65453397  0.77077783  1
  Fe  Fe2  1  0.91361513  0.15457151  0.27077475  1
  Fe  Fe3  1  0.41363190  0.34544871  0.22927619  1
  Fe  Fe4  1  0.92975644  0.53071896  0.72664924  1
  Fe  Fe5  1  0.42965791  0.96929832  0.77332476  1
  Fe  Fe6  1  0.07032962  0.46931017  0.27334852  1
  Fe  Fe7  1  0.57029380  0.03068198  0.22665007  1
  Cr  Cr8  1  0.00000062  0.99998646  1.00000066  1
  Cr  Cr9  1  0.49999569  0.50001108  0.50002499  1
  H  H10  1  0.19297048  0.19687136  0.08873292  1
  H  H11  1  0.69297709  0.30312275  0.41127660  1
  H  H12  1  0.80704007  0.80311070  0.91129032  1
  H  H13  1  0.30705008  0.69690880  0.58872068  1
  H  H14  1  0.27980852  0.09899947  0.98819293  1
  H  H15  1  0.77978422  0.40097463  0.51182692  1
  H  H16  1  0.72022510  0.90095599  0.01187149  1
  H  H17  1  0.22022934  0.59904405  0.48816545  1
  H  H18  1  0.52901177  0.46701494  0.87752802  1
  H  H19  1  0.02910278  0.03297586  0.62285787  1
  H  H20  1  0.47114108  0.53291113  0.12263691  1
  H  H21  1  0.97100044  0.96701292  0.37746956  1
  H  H22  1  0.51984443  0.22582054  0.89781576  1
  H  H23  1  0.01986384  0.27421346  0.60215831  1
  H  H24  1  0.48011487  0.77425714  0.10216974  1
  H  H25  1  0.98010064  0.72590318  0.39781891  1
  H  H26  1  0.75054262  0.02764087  0.85619366  1
  H  H27  1  0.25054522  0.47241182  0.64383614  1
  H  H28  1  0.24941460  0.97246637  0.14382533  1
  H  H29  1  0.74952089  0.52761663  0.35619935  1
  H  H30  1  0.89712817  0.09187715  0.79756881  1
  H  H31  1  0.39720342  0.40813475  0.70240888  1
  H  H32  1  0.10277077  0.90817574  0.20238518  1
  H  H33  1  0.60288557  0.59189358  0.29763485  1
  H  H34  1  0.20445466  0.32964302  0.97088661  1
  H  H35  1  0.70450048  0.17036335  0.52910963  1
  H  H36  1  0.79553743  0.67032379  0.02911731  1
  H  H37  1  0.29560001  0.82968703  0.47088942  1
  H  H38  1  0.17625529  0.17886591  0.87261162  1
  H  H39  1  0.67619814  0.32110014  0.62737935  1
  H  H40  1  0.82381521  0.82106107  0.12739320  1
  H  H41  1  0.32381199  0.67892438  0.37259950  1
  H  H42  1  0.58266028  0.39113860  0.06999586  1
  H  H43  1  0.08265935  0.10862389  0.42982998  1
  H  H44  1  0.41731560  0.60858062  0.92984514  1
  H  H45  1  0.91708870  0.89063152  0.56962679  1
  H  H46  1  0.74118099  0.43496200  -0.00087062  1
  H  H47  1  0.24108030  0.06496465  0.50078629  1
  H  H48  1  0.25892268  0.56496608  1.00077622  1
  H  H49  1  0.75875077  0.93487095  0.49905203  1
  H  H50  1  0.80724819  0.27113797  0.10526591  1
  H  H51  1  0.30723528  0.22888236  0.39471525  1
  H  H52  1  0.19278240  0.72885682  0.89471978  1
  H  H53  1  0.69270655  0.77111748  0.60530614  1
  H  H54  1  0.69631391  0.13709457  0.03426991  1
  H  H55  1  0.19631790  0.36290287  0.46569555  1
  H  H56  1  0.30367744  0.86289518  0.96567406  1
  H  H57  1  0.80367733  0.63714208  0.53433830  1
  H  H58  1  0.78260846  0.32110697  0.81108531  1
  H  H59  1  0.28258809  0.17889003  0.68892165  1
  H  H60  1  0.21736605  0.67895399  0.18893723  1
  H  H61  1  0.71738219  0.82110001  0.31109282  1
  H  H62  1  0.66566828  0.18069465  0.75431674  1
  H  H63  1  0.16563989  0.31930160  0.74569392  1
  H  H64  1  0.33432323  0.81939849  0.24570599  1
  H  H65  1  0.83438100  0.68069144  0.25435874  1
  H  H66  1  0.97826235  0.43129575  0.10362168  1
  H  H67  1  0.47827057  0.06871372  0.39636691  1
  H  H68  1  0.02170128  0.56870948  0.89636364  1
  H  H69  1  0.52171709  0.93131933  0.60362303  1
  H  H70  1  0.96817647  0.36686346  0.92398898  1
  H  H71  1  0.46811021  0.13314161  0.57598852  1
  H  H72  1  0.03193532  0.63314475  0.07599512  1
  H  H73  1  0.53185578  0.86689838  0.42397542  1
  C  C74  1  0.81333995  0.12243881  0.85435998  1
  C  C75  1  0.31339237  0.37763372  0.64563586  1
  C  C76  1  0.18660231  0.87766514  0.14562759  1
  C  C77  1  0.68669770  0.62242388  0.35440832  1
  C  C78  1  0.14195751  0.23120900  0.94993845  1
  C  C79  1  0.64194741  0.26873778  0.55004360  1
  C  C80  1  0.85806871  0.76871697  0.05005622  1
  C  C81  1  0.35808333  0.73125079  0.44993617  1
  C  C82  1  0.67566703  0.34063872  0.99767086  1
  C  C83  1  0.17569897  0.15938678  0.50228954  1
  C  C84  1  0.32431836  0.65938089  0.00230145  1
  C  C85  1  0.82445352  0.84070202  0.49781935  1
  C  C86  1  0.76254795  0.22864776  0.03030709  1
  C  C87  1  0.26259291  0.27138575  0.46968186  1
  C  C88  1  0.23741731  0.77137860  0.96968473  1
  C  C89  1  0.73740072  0.72864933  0.53034569  1
  C  C90  1  0.71767101  0.23332648  0.82520790  1
  C  C91  1  0.21772776  0.26674042  0.67480512  1
  C  C92  1  0.28226359  0.76677899  0.17481636  1
  C  C93  1  0.78232454  0.73334439  0.32523738  1
  C  C94  1  0.99083195  0.27248494  0.95475905  1
  C  C95  1  0.49081988  0.22753619  0.54524967  1
  C  C96  1  0.00919650  0.72752693  0.04525119  1
  C  C97  1  0.50919563  0.77252678  0.45475570  1
  N  N98  1  0.88043203  0.17395052  0.95663353  1
  N  N99  1  0.38047987  0.32612756  0.54335909  1
  N  N100  1  0.11952551  0.82612896  0.04335174  1
  N  N101  1  0.61958163  0.67397279  0.45666307  1
  N  N102  1  0.17982974  0.13622373  0.01569237  1
  N  N103  1  0.67980415  0.36376982  0.48431366  1
  N  N104  1  0.82019939  0.86374865  0.98432905  1
  N  N105  1  0.32020575  0.63625831  0.51568502  1
  N  N106  1  0.61057486  0.29412648  0.90114648  1
  N  N107  1  0.11066447  0.20596932  0.59881483  1
  N  N108  1  0.38935538  0.70595401  0.09883695  1
  N  N109  1  0.88943466  0.79419673  0.40114598  1
  O  O110  1  0.03949228  0.92750422  0.86932088  1
  O  O111  1  0.53941338  0.57245493  0.63072383  1
  O  O112  1  0.96050693  0.07252791  0.13070646  1
  O  O113  1  0.46044171  0.42753016  0.36934530  1
  O  O114  1  -0.01682382  0.94746758  0.63738113  1
  O  O115  1  0.48343323  0.55243218  0.86257551  1
  O  O116  1  1.01661079  0.05244619  0.36253940  1
  O  O117  1  0.51668642  0.44738266  0.13742035  1
  O  O118  1  0.88569242  0.38121476  0.62565070  1
  O  O119  1  0.38569659  0.11876667  0.87433809  1
  O  O120  1  0.11433935  0.61877584  0.37433337  1
  O  O121  1  0.61428402  0.88124108  0.12562415  1
  O  O122  1  0.04764462  0.65697968  0.68034410  1
  O  O123  1  0.54758074  0.84309469  0.81974633  1
  O  O124  1  0.95237726  0.34314583  0.31978052  1
  O  O125  1  0.45234468  0.15683780  0.18025449  1
  O  O126  1  0.27668043  0.86346062  0.70247171  1
  O  O127  1  0.77665565  0.63642692  0.79759512  1
  O  O128  1  0.72331284  0.13648856  0.29761159  1
  O  O129  1  0.22328858  0.36342644  0.20246048  1
  O  O130  1  0.02865837  0.48428799  0.84083387  1
  O  O131  1  0.52867461  1.01570766  0.65917819  1
  O  O132  1  0.97140504  0.51571553  0.15916000  1
  O  O133  1  0.47133170  -0.01572496  0.34085004  1
