# generated using pymatgen
data_Cr3Fe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36908266
_cell_length_b   9.72644105
_cell_length_c   13.67070341
_cell_angle_alpha   103.41574268
_cell_angle_beta   90.00000250
_cell_angle_gamma   90.00012796
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Fe2H32C12(NO2)6
_chemical_formula_sum   'Cr6 Fe4 H64 C24 N12 O24'
_cell_volume   1211.78685842
_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  0.09371158  0.86223217  0.73130410  1
  Cr  Cr1  1  0.59371518  0.63776310  0.76869603  1
  Cr  Cr2  1  0.90628493  0.13776713  0.26869561  1
  Cr  Cr3  1  0.40628156  0.36223797  0.23130483  1
  Fe  Fe4  1  0.94300472  0.55469599  0.72830718  1
  Fe  Fe5  1  0.44300402  0.94529742  0.77169327  1
  Fe  Fe6  1  0.05699417  0.44530480  0.27169299  1
  Fe  Fe7  1  0.55699441  0.05470144  0.22830596  1
  Cr  Cr8  1  0.00000169  1.00000008  0.99999999  1
  Cr  Cr9  1  0.50000277  0.49999986  0.50000029  1
  H  H10  1  0.19411651  0.19258933  0.08610587  1
  H  H11  1  0.69411653  0.30740996  0.41389196  1
  H  H12  1  0.80588508  0.80741137  0.91389372  1
  H  H13  1  0.30588624  0.69258986  0.58610894  1
  H  H14  1  0.27774526  0.09800003  0.98467230  1
  H  H15  1  0.77774610  0.40199887  0.51532446  1
  H  H16  1  0.72225552  0.90199980  0.01532693  1
  H  H17  1  0.22225734  0.59800069  0.48467656  1
  H  H18  1  0.58124941  0.37904003  0.86852089  1
  H  H19  1  0.08125113  0.12095551  0.63147982  1
  H  H20  1  0.41874979  0.62096061  0.13147976  1
  H  H21  1  0.91874731  0.87904509  0.36851864  1
  H  H22  1  0.48118522  0.16803873  0.88866927  1
  H  H23  1  -0.01881573  0.33195423  0.61133393  1
  H  H24  1  0.51881254  0.83196312  0.11132871  1
  H  H25  1  1.01881447  0.66804423  0.38866719  1
  H  H26  1  0.76490299  0.03020488  0.84953146  1
  H  H27  1  0.26490429  0.46979237  0.65047098  1
  H  H28  1  0.23509706  0.96979724  0.15046741  1
  H  H29  1  0.73509742  0.53020530  0.34953153  1
  H  H30  1  0.91800128  0.09728402  0.80069235  1
  H  H31  1  0.41800311  0.40271320  0.69930870  1
  H  H32  1  0.08199911  0.90271817  0.19930650  1
  H  H33  1  0.58199869  0.59728232  0.30069280  1
  H  H34  1  0.20693401  0.33452579  0.97164043  1
  H  H35  1  0.70693421  0.16547327  0.52835658  1
  H  H36  1  0.79306694  0.66547369  0.02835883  1
  H  H37  1  0.29306820  0.83452715  0.47164443  1
  H  H38  1  0.16874642  0.18780726  0.87212433  1
  H  H39  1  0.66875097  0.31219116  0.62787357  1
  H  H40  1  0.83125274  0.81219188  0.12787537  1
  H  H41  1  0.33125079  0.68780935  0.37212708  1
  H  H42  1  0.58291294  0.36717725  0.04311135  1
  H  H43  1  0.08291409  0.13281831  0.45688986  1
  H  H44  1  0.41708663  0.63282131  0.95688888  1
  H  H45  1  0.91708637  0.86718483  0.54310890  1
  H  H46  1  0.74074480  0.43940932  0.00662789  1
  H  H47  1  0.24074754  0.06058879  0.49337283  1
  H  H48  1  0.25925409  0.56059057  0.99337292  1
  H  H49  1  0.75925120  0.93941225  0.50662611  1
  H  H50  1  0.79637939  0.26365241  0.10300212  1
  H  H51  1  0.29637750  0.23634825  0.39699886  1
  H  H52  1  0.20362131  0.73634670  0.89699737  1
  H  H53  1  0.70362424  0.76365411  0.60300168  1
  H  H54  1  0.69258360  0.13255037  0.02268823  1
  H  H55  1  0.19258260  0.36744821  0.47731445  1
  H  H56  1  0.30741743  0.86744887  0.97731085  1
  H  H57  1  0.80742047  0.63255425  0.52268708  1
  H  H58  1  0.81149726  0.32268464  0.80395225  1
  H  H59  1  0.31150028  0.17731155  0.69604787  1
  H  H60  1  0.18850276  0.67731872  0.19604909  1
  H  H61  1  0.68850014  0.82268243  0.30394841  1
  H  H62  1  0.69085823  0.18707304  0.74787940  1
  H  H63  1  0.19086166  0.31292207  0.75212194  1
  H  H64  1  0.30914257  0.81293068  0.25212024  1
  H  H65  1  0.80914097  0.68707167  0.24787838  1
  H  H66  1  0.96471055  0.42417834  0.10778733  1
  H  H67  1  0.46471213  0.07582636  0.39221190  1
  H  H68  1  0.03528886  0.57582665  0.89221393  1
  H  H69  1  0.53528710  0.92417054  0.60778625  1
  H  H70  1  0.96200957  0.37435523  0.93186242  1
  H  H71  1  0.46201174  0.12564474  0.56813895  1
  H  H72  1  0.03799201  0.62564589  0.06813904  1
  H  H73  1  0.53799110  0.87435380  0.43185862  1
  C  C74  1  0.82828686  0.12591439  0.85252570  1
  C  C75  1  0.32828838  0.37408290  0.64747561  1
  C  C76  1  0.17171380  0.87408743  0.14747357  1
  C  C77  1  0.67171360  0.62591444  0.35252551  1
  C  C78  1  0.14116817  0.23842419  0.95073084  1
  C  C79  1  0.64116944  0.26157513  0.54926755  1
  C  C80  1  0.85883249  0.76157557  0.04926894  1
  C  C81  1  0.35883290  0.73842525  0.45073311  1
  C  C82  1  0.67641703  0.34154582  0.99392029  1
  C  C83  1  0.17641847  0.15845128  0.50608069  1
  C  C84  1  0.32358244  0.65845371  0.00607982  1
  C  C85  1  0.82358149  0.84155051  0.49391870  1
  C  C86  1  0.75946973  0.22556462  0.02562946  1
  C  C87  1  0.25946952  0.27443437  0.47437205  1
  C  C88  1  0.24053082  0.77443493  0.97437000  1
  C  C89  1  0.74053263  0.72556718  0.52562863  1
  C  C90  1  0.74137259  0.23859775  0.81933743  1
  C  C91  1  0.24137493  0.26139824  0.68066347  1
  C  C92  1  0.25862786  0.76140460  0.18066271  1
  C  C93  1  0.75862626  0.73859814  0.31933569  1
  C  C94  1  0.99101820  0.28153114  0.96143404  1
  C  C95  1  0.49101912  0.21846862  0.53856643  1
  C  C96  1  0.00898254  0.71846934  0.03856660  1
  C  C97  1  0.50898357  0.78153167  0.46143304  1
  N  N98  1  0.88314941  0.17685199  0.95764573  1
  N  N99  1  0.38315017  0.32314728  0.54235524  1
  N  N100  1  0.11685137  0.82314853  0.04235375  1
  N  N101  1  0.61685237  0.67685271  0.45764560  1
  N  N102  1  0.17923516  0.13767167  0.01269271  1
  N  N103  1  0.67923553  0.36232738  0.48730502  1
  N  N104  1  0.82076602  0.86232806  0.98730702  1
  N  N105  1  0.32076750  0.63767301  0.51269550  1
  N  N106  1  0.62924095  0.29535183  0.89051599  1
  N  N107  1  0.12924276  0.20464419  0.60948501  1
  N  N108  1  0.37075895  0.70464845  0.10948411  1
  N  N109  1  0.87075680  0.79535663  0.39051423  1
  O  O110  1  0.05277206  0.90716544  0.85779601  1
  O  O111  1  0.55277685  0.59283188  0.64220391  1
  O  O112  1  0.94721486  0.09283063  0.14220239  1
  O  O113  1  0.44720958  0.40717274  0.35779849  1
  O  O114  1  0.02089746  0.97567155  0.67257670  1
  O  O115  1  0.52089701  0.52432413  0.82742227  1
  O  O116  1  0.97910654  0.02433234  0.32742372  1
  O  O117  1  0.47910324  0.47567630  0.17257949  1
  O  O118  1  0.90139561  0.40170410  0.62070623  1
  O  O119  1  0.40139750  0.09828732  0.87929611  1
  O  O120  1  0.09860218  0.59829354  0.37929630  1
  O  O121  1  0.59860005  0.90171463  0.12070098  1
  O  O122  1  0.03520797  0.69392132  0.67356187  1
  O  O123  1  0.53521286  0.80607417  0.82643738  1
  O  O124  1  0.96478560  0.30608005  0.32643532  1
  O  O125  1  0.46478550  0.19392682  0.17356479  1
  O  O126  1  0.27719028  0.85086289  0.70878836  1
  O  O127  1  0.77719279  0.64912960  0.79121512  1
  O  O128  1  0.72280715  0.14913280  0.29121520  1
  O  O129  1  0.22280461  0.35087060  0.20878258  1
  O  O130  1  0.04714196  0.50020046  0.83125329  1
  O  O131  1  0.54713767  0.99979643  0.66874711  1
  O  O132  1  0.95285788  0.49980450  0.16874773  1
  O  O133  1  0.45286008  0.00020037  0.33125125  1
