# generated using pymatgen
data_Cr2FeNi2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36036732
_cell_length_b   9.72214143
_cell_length_c   13.67028093
_cell_angle_alpha   103.44997574
_cell_angle_beta   90.00003068
_cell_angle_gamma   90.00013759
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeNi2H32C12(NO2)6
_chemical_formula_sum   'Cr4 Fe2 Ni4 H64 C24 N12 O24'
_cell_volume   1209.91438201
_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
  Ni  Ni0  1  0.09364067  0.85928522  0.73374019  1
  Ni  Ni1  1  0.59363832  0.64070650  0.76625821  1
  Ni  Ni2  1  0.90637452  0.14071812  0.26626195  1
  Ni  Ni3  1  0.40636097  0.35929565  0.23374432  1
  Cr  Cr4  1  0.94876998  0.55911030  0.72267047  1
  Cr  Cr5  1  0.44877074  0.94088177  0.77732494  1
  Cr  Cr6  1  0.05123091  0.44089763  0.27733410  1
  Cr  Cr7  1  0.55122966  0.05911169  0.22267340  1
  Fe  Fe8  1  -0.00006222  0.99985210  0.99999469  1
  Fe  Fe9  1  0.50004589  0.50023688  0.49997534  1
  H  H10  1  0.18691162  0.19664578  0.09247342  1
  H  H11  1  0.68691047  0.30335196  0.40752460  1
  H  H12  1  0.81306940  0.80333800  0.90753272  1
  H  H13  1  0.31308275  0.69666682  0.59247131  1
  H  H14  1  0.27321615  0.09683320  0.99351727  1
  H  H15  1  0.77322740  0.40316338  0.50647286  1
  H  H16  1  0.72677044  0.90316892  0.00648151  1
  H  H17  1  0.22678776  0.59682370  0.49352541  1
  H  H18  1  0.52979007  0.46750667  0.88028946  1
  H  H19  1  0.02981956  0.03247566  0.61971668  1
  H  H20  1  0.47022576  0.53250289  0.11970120  1
  H  H21  1  0.97017417  0.96752598  0.38028497  1
  H  H22  1  0.54260011  0.22388528  0.89396412  1
  H  H23  1  0.04260118  0.27611159  0.60604063  1
  H  H24  1  0.45739752  0.77611899  0.10603664  1
  H  H25  1  0.95739896  0.72388747  0.39395937  1
  H  H26  1  0.77378848  0.03502342  0.84977974  1
  H  H27  1  0.27378796  0.46496679  0.65021926  1
  H  H28  1  0.22619521  0.96496569  0.15020090  1
  H  H29  1  0.72621101  0.53503339  0.34979010  1
  H  H30  1  0.92302274  0.11241311  0.80526468  1
  H  H31  1  0.42302335  0.38759630  0.69473904  1
  H  H32  1  0.07696857  0.88759081  0.19473829  1
  H  H33  1  0.57697133  0.61239505  0.30525181  1
  H  H34  1  0.21598286  0.32761023  0.96588700  1
  H  H35  1  0.71598496  0.17239793  0.53410640  1
  H  H36  1  0.78398402  0.67238564  0.03410863  1
  H  H37  1  0.28398146  0.82761561  0.46588924  1
  H  H38  1  0.15220214  0.17832223  0.87589067  1
  H  H39  1  0.65221090  0.32168103  0.62410810  1
  H  H40  1  0.84778561  0.82164677  0.12412377  1
  H  H41  1  0.34777524  0.67835019  0.37587532  1
  H  H42  1  0.58037515  0.39019210  0.06833829  1
  H  H43  1  0.08035436  0.10980453  0.43168216  1
  H  H44  1  0.41962198  0.60980581  0.93167072  1
  H  H45  1  0.91963647  0.89019727  0.56831536  1
  H  H46  1  0.74536696  0.43538044  0.00482779  1
  H  H47  1  0.24536501  0.06462530  0.49516494  1
  H  H48  1  0.25463195  0.56461972  0.99517149  1
  H  H49  1  0.75463039  0.93537455  0.50483364  1
  H  H50  1  0.79794023  0.26022737  0.10624484  1
  H  H51  1  0.29794542  0.23978554  0.39376113  1
  H  H52  1  0.20205957  0.73976657  0.89374914  1
  H  H53  1  0.70205450  0.76021880  0.60624556  1
  H  H54  1  0.69122184  0.13168153  0.02588991  1
  H  H55  1  0.19122784  0.36832157  0.47411839  1
  H  H56  1  0.30875494  0.86832502  0.97411687  1
  H  H57  1  0.80875953  0.63166788  0.52587998  1
  H  H58  1  0.79853677  0.33527004  0.81588527  1
  H  H59  1  0.29854273  0.16472839  0.68412163  1
  H  H60  1  0.20145882  0.66473024  0.18411554  1
  H  H61  1  0.70145304  0.83527046  0.31587817  1
  H  H62  1  0.68940971  0.19327251  0.75262182  1
  H  H63  1  0.18941164  0.30672225  0.74737980  1
  H  H64  1  0.31058073  0.80673526  0.24737351  1
  H  H65  1  0.81058135  0.69327095  0.25262334  1
  H  H66  1  0.98331249  0.35725327  0.05298175  1
  H  H67  1  0.48331534  0.14275108  0.44702195  1
  H  H68  1  0.01667077  0.64271485  0.94701260  1
  H  H69  1  0.51667522  0.85728068  0.55298006  1
  H  H70  1  0.96827837  0.36472828  0.92308057  1
  H  H71  1  0.46828960  0.13527118  0.57692389  1
  H  H72  1  0.03171825  0.63524092  0.07691846  1
  H  H73  1  0.53172459  0.86474805  0.42307415  1
  C  C74  1  0.83234979  0.13450592  0.85672868  1
  C  C75  1  0.33235439  0.36548973  0.64327245  1
  C  C76  1  0.16763147  0.86548713  0.14326546  1
  C  C77  1  0.66763506  0.63450546  0.35672474  1
  C  C78  1  0.14102856  0.23812807  0.95401738  1
  C  C79  1  0.64102956  0.26187781  0.54598203  1
  C  C80  1  0.85895645  0.76184726  0.04599194  1
  C  C81  1  0.35895243  0.73815214  0.45400634  1
  C  C82  1  0.67839792  0.34093686  0.99841487  1
  C  C83  1  0.17839068  0.15906643  0.50158829  1
  C  C84  1  0.32159474  0.65906713  0.00158617  1
  C  C85  1  0.82160079  0.84093201  0.49841221  1
  C  C86  1  0.76018326  0.22391136  0.02910148  1
  C  C87  1  0.26019270  0.27609432  0.47090632  1
  C  C88  1  0.23980538  0.77608355  0.97089431  1
  C  C89  1  0.73981567  0.72391322  0.52910316  1
  C  C90  1  0.73542365  0.24403999  0.82570123  1
  C  C91  1  0.23542907  0.25595631  0.67430197  1
  C  C92  1  0.26456733  0.75596088  0.17429484  1
  C  C93  1  0.76456281  0.74404144  0.32570078  1
  C  C94  1  0.99068084  0.29551639  0.97471382  1
  C  C95  1  0.49068112  0.20448760  0.52528978  1
  C  C96  1  0.00929940  0.70444236  0.02528365  1
  C  C97  1  0.50929785  0.79555300  0.47470989  1
  N  N98  1  0.88396438  0.17894640  0.96176618  1
  N  N99  1  0.38396695  0.32104415  0.53823990  1
  N  N100  1  0.11598797  0.82103088  0.03822181  1
  N  N101  1  0.61598968  0.67895192  0.46177331  1
  N  N102  1  0.17676544  0.14152808  0.01878600  1
  N  N103  1  0.67676941  0.35847841  0.48121099  1
  N  N104  1  0.82322548  0.85845588  0.98122515  1
  N  N105  1  0.32323815  0.64155035  0.51877868  1
  N  N106  1  0.62193372  0.29848173  0.89853282  1
  N  N107  1  0.12193534  0.20151614  0.60147234  1
  N  N108  1  0.37806217  0.70152363  0.10146664  1
  N  N109  1  0.87805926  0.79847878  0.39852839  1
  O  O110  1  0.04908243  0.93644393  0.86868603  1
  O  O111  1  0.54899549  0.56351125  0.63133161  1
  O  O112  1  0.95123369  0.06387989  0.13131214  1
  O  O113  1  0.45110062  0.43609188  0.36871837  1
  O  O114  1  -0.00988198  0.94413316  0.63296001  1
  O  O115  1  0.49009957  0.55584742  0.86703504  1
  O  O116  1  1.00987520  0.05586512  0.36703738  1
  O  O117  1  0.50990383  0.44417071  0.13297770  1
  O  O118  1  0.90013574  0.42012142  0.63492393  1
  O  O119  1  0.40014367  0.07986236  0.86508008  1
  O  O120  1  0.09987425  0.57988307  0.36508746  1
  O  O121  1  0.59987145  0.92014227  0.13490593  1
  O  O122  1  0.05555107  0.66061505  0.66858816  1
  O  O123  1  0.55554782  0.83937243  0.83140737  1
  O  O124  1  0.94444329  0.33940335  0.33141788  1
  O  O125  1  0.44446113  0.16061678  0.16858760  1
  O  O126  1  0.30447798  0.84612758  0.72379104  1
  O  O127  1  0.80447890  0.65387521  0.77619695  1
  O  O128  1  0.69553891  0.15384529  0.27619973  1
  O  O129  1  0.19553235  0.34614592  0.22381940  1
  O  O130  1  0.03801398  0.50555815  0.81006632  1
  O  O131  1  0.53801980  0.99444360  0.68993532  1
  O  O132  1  0.96199299  0.49445138  0.18993580  1
  O  O133  1  0.46197912  0.00553966  0.31005865  1
