# generated using pymatgen
data_Cr2FeCo2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36412619
_cell_length_b   9.72368326
_cell_length_c   13.68000860
_cell_angle_alpha   103.40462183
_cell_angle_beta   90.00004380
_cell_angle_gamma   90.00013176
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeCo2H32C12(NO2)6
_chemical_formula_sum   'Cr4 Fe2 Co4 H64 C24 N12 O24'
_cell_volume   1211.68261626
_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
  Co  Co0  1  0.09610589  0.86694301  0.73623659  1
  Co  Co1  1  0.59608937  0.63309487  0.76374027  1
  Co  Co2  1  0.90368442  0.13317664  0.26372652  1
  Co  Co3  1  0.40365517  0.36687911  0.23625825  1
  Cr  Cr4  1  0.95008288  0.56337337  0.72214117  1
  Cr  Cr5  1  0.45009361  0.93663272  0.77786734  1
  Cr  Cr6  1  0.04983612  0.43664169  0.27780960  1
  Cr  Cr7  1  0.54985061  0.06338229  0.22219232  1
  Fe  Fe8  1  0.00019170  0.99979723  1.00009741  1
  Fe  Fe9  1  0.50023605  0.50009766  0.49990956  1
  H  H10  1  0.18906990  0.19709466  0.09042556  1
  H  H11  1  0.68908874  0.30287079  0.40958346  1
  H  H12  1  0.81101120  0.80287472  0.90960933  1
  H  H13  1  0.31106163  0.69709105  0.59041844  1
  H  H14  1  0.27593525  0.09902061  0.99138718  1
  H  H15  1  0.77592529  0.40097286  0.50861020  1
  H  H16  1  0.72425489  0.90102217  0.00869059  1
  H  H17  1  0.22425245  0.59899134  0.49133483  1
  H  H18  1  0.54600886  0.45833542  0.86494537  1
  H  H19  1  0.04595482  0.04161987  0.63498231  1
  H  H20  1  0.45396105  0.54174933  0.13524688  1
  H  H21  1  0.95393361  0.95826534  0.36471895  1
  H  H22  1  0.54518116  0.21915148  0.88581114  1
  H  H23  1  0.04519021  0.28085361  0.61418372  1
  H  H24  1  0.45487038  0.78084239  0.11411717  1
  H  H25  1  0.95488932  0.71918384  0.38588287  1
  H  H26  1  0.77699376  0.03376488  0.84862899  1
  H  H27  1  0.27702577  0.46621415  0.65137019  1
  H  H28  1  0.22310534  0.96623937  0.15144735  1
  H  H29  1  0.72314571  0.53375253  0.34854478  1
  H  H30  1  0.92755361  0.11038923  0.80502249  1
  H  H31  1  0.42756727  0.38958513  0.69499165  1
  H  H32  1  0.07254927  0.88957571  0.19503663  1
  H  H33  1  0.57257574  0.61041401  0.30497265  1
  H  H34  1  0.21599084  0.33037548  0.96642988  1
  H  H35  1  0.71602801  0.16959713  0.53356805  1
  H  H36  1  0.78402725  0.66946265  0.03358289  1
  H  H37  1  0.28406468  0.83050216  0.46642312  1
  H  H38  1  0.15418990  0.18289598  0.87479323  1
  H  H39  1  0.65422036  0.31705104  0.62522003  1
  H  H40  1  0.84576705  0.81693881  0.12525752  1
  H  H41  1  0.34579368  0.68300298  0.37476380  1
  H  H42  1  0.58308009  0.37180991  0.05167541  1
  H  H43  1  0.08308887  0.12820321  0.44832562  1
  H  H44  1  0.41689116  0.62811132  0.94820671  1
  H  H45  1  0.91689614  0.87193910  0.55181430  1
  H  H46  1  0.74048676  0.43173327  0.00099025  1
  H  H47  1  0.24047441  0.06825024  0.49900754  1
  H  H48  1  0.25946045  0.56828996  0.99899162  1
  H  H49  1  0.75942760  0.93170265  0.50099575  1
  H  H50  1  0.79625968  0.25866078  0.10440469  1
  H  H51  1  0.29628154  0.24132044  0.39559122  1
  H  H52  1  0.20376079  0.74123651  0.89554470  1
  H  H53  1  0.70376832  0.75872438  0.60444773  1
  H  H54  1  0.69264583  0.12893095  0.02285885  1
  H  H55  1  0.19268361  0.37106567  0.47714519  1
  H  H56  1  0.30732801  0.87111701  0.97707774  1
  H  H57  1  0.80738268  0.62888483  0.52291893  1
  H  H58  1  0.80428956  0.33322746  0.81415468  1
  H  H59  1  0.30427805  0.16675466  0.68584877  1
  H  H60  1  0.19580693  0.66670127  0.18580288  1
  H  H61  1  0.69580427  0.83329668  0.31420420  1
  H  H62  1  0.69835853  0.19051044  0.74903441  1
  H  H63  1  0.19836031  0.30948211  0.75096388  1
  H  H64  1  0.30175176  0.80939025  0.25092517  1
  H  H65  1  0.80176625  0.69062384  0.24907757  1
  H  H66  1  0.98359891  0.35619800  0.05277288  1
  H  H67  1  0.48361764  0.14376323  0.44723757  1
  H  H68  1  0.01644906  0.64373600  0.94728601  1
  H  H69  1  0.51647634  0.85622070  0.55272029  1
  H  H70  1  0.96819726  0.36613735  0.92364730  1
  H  H71  1  0.46820473  0.13383430  0.57636300  1
  H  H72  1  0.03197869  0.63388151  0.07641270  1
  H  H73  1  0.53198111  0.86608994  0.42359547  1
  C  C74  1  0.83600411  0.13298552  0.85563736  1
  C  C75  1  0.33602527  0.36699234  0.64436665  1
  C  C76  1  0.16409078  0.86700619  0.14440596  1
  C  C77  1  0.66412144  0.63298216  0.35559584  1
  C  C78  1  0.14203564  0.24015764  0.95334299  1
  C  C79  1  0.64205951  0.25980137  0.54666616  1
  C  C80  1  0.85796972  0.75969992  0.04670225  1
  C  C81  1  0.35799637  0.74025309  0.45331536  1
  C  C82  1  0.67286738  0.33797246  0.99606499  1
  C  C83  1  0.17287801  0.16202455  0.50393671  1
  C  C84  1  0.32715894  0.66201610  0.00385881  1
  C  C85  1  0.82717861  0.83800619  0.49615201  1
  C  C86  1  0.75987952  0.22242949  0.02696695  1
  C  C87  1  0.25990720  0.27755977  0.47303524  1
  C  C88  1  0.24011901  0.77758450  0.97298619  1
  C  C89  1  0.74014763  0.72240104  0.52700724  1
  C  C90  1  0.74063726  0.24196177  0.82313375  1
  C  C91  1  0.24063819  0.25802483  0.67686574  1
  C  C92  1  0.25944418  0.75798117  0.17683271  1
  C  C93  1  0.75945526  0.74202352  0.32317032  1
  C  C94  1  0.99129799  0.29594691  0.97439415  1
  C  C95  1  0.49132195  0.20401868  0.52561529  1
  C  C96  1  0.00873230  0.70400605  0.02566145  1
  C  C97  1  0.50876140  0.79595356  0.47434466  1
  N  N98  1  0.88492246  0.17906984  0.96095712  1
  N  N99  1  0.38496389  0.32091412  0.53904489  1
  N  N100  1  0.11507184  0.82099188  0.03905376  1
  N  N101  1  0.61511218  0.67897595  0.46093997  1
  N  N102  1  0.17875609  0.14207669  0.01681225  1
  N  N103  1  0.67875207  0.35788853  0.48319452  1
  N  N104  1  0.82135230  0.85778866  0.98324375  1
  N  N105  1  0.32136720  0.64217790  0.51678536  1
  N  N106  1  0.62372243  0.29431581  0.89241520  1
  N  N107  1  0.12372181  0.20568192  0.60758231  1
  N  N108  1  0.37632449  0.70567416  0.10751784  1
  N  N109  1  0.87633337  0.79434347  0.39248533  1
  O  O110  1  0.05213195  0.91855615  0.86571776  1
  O  O111  1  0.55191147  0.58184819  0.63426524  1
  O  O112  1  0.94685912  0.08224993  0.13401061  1
  O  O113  1  0.44669835  0.41802152  0.36597810  1
  O  O114  1  0.00376529  0.95047368  0.64308045  1
  O  O115  1  0.50377070  0.54945328  0.85682357  1
  O  O116  1  0.99626130  0.04923971  0.35646406  1
  O  O117  1  0.49627400  0.45075976  0.14349450  1
  O  O118  1  0.90433319  0.42825099  0.63055999  1
  O  O119  1  0.40433916  0.07177040  0.86943207  1
  O  O120  1  0.09571202  0.57175579  0.36935222  1
  O  O121  1  0.59570479  0.92828698  0.13062632  1
  O  O122  1  0.05303790  0.67328791  0.67177547  1
  O  O123  1  0.55304369  0.82674210  0.82826114  1
  O  O124  1  0.94689351  0.32675689  0.32823779  1
  O  O125  1  0.44689579  0.17329076  0.17179713  1
  O  O126  1  0.30233794  0.84917682  0.72106956  1
  O  O127  1  0.80232468  0.65083899  0.77893273  1
  O  O128  1  0.69749451  0.15094550  0.27911041  1
  O  O129  1  0.19747292  0.34908112  0.22088416  1
  O  O130  1  0.04298742  0.50661319  0.80610646  1
  O  O131  1  0.54301999  0.99337517  0.69390360  1
  O  O132  1  0.95685482  0.49343332  0.19390033  1
  O  O133  1  0.45689372  0.00656508  0.30610129  1
