# generated using pymatgen
data_Cr2FeCo2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38276324
_cell_length_b   9.74609629
_cell_length_c   13.68891730
_cell_angle_alpha   103.50161389
_cell_angle_beta   90.00002723
_cell_angle_gamma   90.00012470
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeCo2H32C12(NO2)6
_chemical_formula_sum   'Cr4 Fe2 Co4 H64 C24 N12 O24'
_cell_volume   1217.19212582
_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  0.09257454  0.85614305  0.73154280  1
  Cr  Cr1  1  0.59255627  0.64386371  0.76845812  1
  Cr  Cr2  1  0.90740102  0.14384926  0.26846479  1
  Cr  Cr3  1  0.40742023  0.35613890  0.23153727  1
  Co  Co4  1  0.93680025  0.55436440  0.72970691  1
  Co  Co5  1  0.43686378  0.94566900  0.77024116  1
  Co  Co6  1  0.06335421  0.44556881  0.27044523  1
  Co  Co7  1  0.56327797  0.05439155  0.22960351  1
  Fe  Fe8  1  -0.00003356  1.00007197  0.99995434  1
  Fe  Fe9  1  0.49996598  0.49994321  0.50003911  1
  H  H10  1  0.19412415  0.19481225  0.08576016  1
  H  H11  1  0.69413870  0.30520490  0.41423451  1
  H  H12  1  0.80569694  0.80522464  0.91416281  1
  H  H13  1  0.30565639  0.69474818  0.58583464  1
  H  H14  1  0.27863892  0.10077774  0.98416885  1
  H  H15  1  0.77863525  0.39924924  0.51582068  1
  H  H16  1  0.72139815  0.89922976  0.01578822  1
  H  H17  1  0.22139840  0.60075950  0.48420116  1
  H  H18  1  0.57429193  0.37636541  0.86572680  1
  H  H19  1  0.07429288  0.12364478  0.63427585  1
  H  H20  1  0.42574930  0.62368399  0.13427165  1
  H  H21  1  0.92574716  0.87631971  0.36572901  1
  H  H22  1  0.47174278  0.16326487  0.88708615  1
  H  H23  1  -0.02824314  0.33669951  0.61291821  1
  H  H24  1  0.52822152  0.83666481  0.11292467  1
  H  H25  1  1.02819295  0.66336361  0.38704474  1
  H  H26  1  0.75792477  0.03396682  0.85405849  1
  H  H27  1  0.25793309  0.46602326  0.64594174  1
  H  H28  1  0.24201024  0.96601475  0.14590135  1
  H  H29  1  0.74201342  0.53400221  0.35410326  1
  H  H30  1  0.90940624  0.09368505  0.79869910  1
  H  H31  1  0.40942032  0.40629944  0.70128665  1
  H  H32  1  0.09056170  0.90625699  0.20124206  1
  H  H33  1  0.59054756  0.59374952  0.29876902  1
  H  H34  1  0.20566753  0.33197148  0.96781690  1
  H  H35  1  0.70569098  0.16802680  0.53217353  1
  H  H36  1  0.79411706  0.66806611  0.03214042  1
  H  H37  1  0.29409675  0.83191935  0.46786193  1
  H  H38  1  0.16245263  0.18339422  0.87129715  1
  H  H39  1  0.66231618  0.31656960  0.62871141  1
  H  H40  1  0.83813909  0.81645281  0.12866923  1
  H  H41  1  0.33818736  0.68355105  0.37132917  1
  H  H42  1  0.57942099  0.36824415  0.04142058  1
  H  H43  1  0.07942757  0.13173411  0.45857252  1
  H  H44  1  0.42055899  0.63168546  0.95854709  1
  H  H45  1  0.92055613  0.86833593  0.54145268  1
  H  H46  1  0.73422232  0.44150696  0.00091069  1
  H  H47  1  0.23424642  0.05851008  0.49909732  1
  H  H48  1  0.26573252  0.55855614  0.99913632  1
  H  H49  1  0.76571215  0.94143789  0.50085865  1
  H  H50  1  0.79644421  0.27247962  0.10068839  1
  H  H51  1  0.29642623  0.22753382  0.39930791  1
  H  H52  1  0.20360839  0.72753615  0.89929367  1
  H  H53  1  0.70362063  0.77245866  0.60070867  1
  H  H54  1  0.69381799  0.13696418  0.02436125  1
  H  H55  1  0.19381595  0.36303498  0.47562441  1
  H  H56  1  0.30612676  0.86304279  0.97561319  1
  H  H57  1  0.80613239  0.63695472  0.52437890  1
  H  H58  1  0.80435995  0.32234648  0.80285103  1
  H  H59  1  0.30435202  0.17762054  0.69715599  1
  H  H60  1  0.19572840  0.67758718  0.19720394  1
  H  H61  1  0.69573712  0.82243105  0.30279958  1
  H  H62  1  0.68606411  0.18519104  0.74550024  1
  H  H63  1  0.18610234  0.31481448  0.75450130  1
  H  H64  1  0.31384503  0.81489983  0.25450218  1
  H  H65  1  0.81382797  0.68509996  0.24549209  1
  H  H66  1  0.97416559  0.42165504  0.10641015  1
  H  H67  1  0.47418340  0.07847792  0.39366995  1
  H  H68  1  0.02577207  0.57879598  0.89381973  1
  H  H69  1  0.52577350  0.92111578  0.60611873  1
  H  H70  1  0.96780360  0.37744392  0.93223419  1
  H  H71  1  0.46782770  0.12254839  0.56777630  1
  H  H72  1  0.03218246  0.62237301  0.06767595  1
  H  H73  1  0.53219379  0.87762043  0.43231326  1
  C  C74  1  0.82237032  0.12704758  0.85206854  1
  C  C75  1  0.32237678  0.37293958  0.64792590  1
  C  C76  1  0.17761352  0.87290070  0.14789704  1
  C  C77  1  0.67760661  0.62710872  0.35210590  1
  C  C78  1  0.13922611  0.23625130  0.95014269  1
  C  C79  1  0.63921981  0.26373126  0.54983889  1
  C  C80  1  0.86080981  0.76362212  0.04971748  1
  C  C81  1  0.36081614  0.73638394  0.45028841  1
  C  C82  1  0.67131434  0.34308616  0.99092896  1
  C  C83  1  0.17131477  0.15691373  0.50906931  1
  C  C84  1  0.32870343  0.65692396  0.00906825  1
  C  C85  1  0.82870001  0.84308096  0.49093268  1
  C  C86  1  0.75793544  0.23069337  0.02425876  1
  C  C87  1  0.25792997  0.26930879  0.47573919  1
  C  C88  1  0.24205914  0.76929248  0.97573380  1
  C  C89  1  0.74206259  0.73070601  0.52426620  1
  C  C90  1  0.73443716  0.23769207  0.81742572  1
  C  C91  1  0.23445211  0.26229189  0.68257601  1
  C  C92  1  0.26555885  0.76228531  0.18258019  1
  C  C93  1  0.76555644  0.73772201  0.31741691  1
  C  C94  1  0.98970101  0.28145989  0.95999466  1
  C  C95  1  0.48968858  0.21852510  0.54000973  1
  C  C96  1  0.01034380  0.71838515  0.03996540  1
  C  C97  1  0.51034758  0.78162381  0.46004980  1
  N  N98  1  0.87960686  0.18243097  0.95551608  1
  N  N99  1  0.37960880  0.31756407  0.54448123  1
  N  N100  1  0.12036536  0.81745510  0.04447656  1
  N  N101  1  0.62036835  0.68254129  0.45552623  1
  N  N102  1  0.17972249  0.13863909  0.01283007  1
  N  N103  1  0.67971927  0.36136115  0.48716385  1
  N  N104  1  0.82029368  0.86134149  0.98709025  1
  N  N105  1  0.32028874  0.63865158  0.51290288  1
  N  N106  1  0.62143724  0.29337813  0.88838370  1
  N  N107  1  0.12144843  0.20662362  0.61161829  1
  N  N108  1  0.37856843  0.70665410  0.11161875  1
  N  N109  1  0.87856186  0.79335187  0.38838123  1
  O  O110  1  0.05522841  0.90134438  0.85590802  1
  O  O111  1  0.55521551  0.59865827  0.64409162  1
  O  O112  1  0.94479140  0.09859635  0.14410518  1
  O  O113  1  0.44479472  0.40138678  0.35589974  1
  O  O114  1  0.02106468  0.97191450  0.67504800  1
  O  O115  1  0.52107807  0.52807662  0.82495523  1
  O  O116  1  0.97888114  0.02811629  0.32500134  1
  O  O117  1  0.47887229  0.47189107  0.17500519  1
  O  O118  1  0.89580289  0.40985103  0.62108858  1
  O  O119  1  0.39581766  0.09008130  0.87892519  1
  O  O120  1  0.10425144  0.59032174  0.37893749  1
  O  O121  1  0.60422950  0.90976062  0.12107007  1
  O  O122  1  0.02927516  0.69316778  0.67529666  1
  O  O123  1  0.52924615  0.80683839  0.82469418  1
  O  O124  1  0.97060788  0.30685598  0.32475134  1
  O  O125  1  0.47064667  0.19314262  0.17526322  1
  O  O126  1  0.27249938  0.84588116  0.70984221  1
  O  O127  1  0.77248914  0.65416551  0.79015564  1
  O  O128  1  0.72746592  0.15418137  0.29018946  1
  O  O129  1  0.22747643  0.34577348  0.20980890  1
  O  O130  1  0.03060710  0.50019664  0.83421956  1
  O  O131  1  0.53058427  0.99976798  0.66569410  1
  O  O132  1  0.96937738  0.50013505  0.16608632  1
  O  O133  1  0.46942058  -0.00006763  0.33403299  1
