# generated using pymatgen
data_Fe2Co3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35258980
_cell_length_b   9.70549207
_cell_length_c   13.62907830
_cell_angle_alpha   103.50196449
_cell_angle_beta   90.00002241
_cell_angle_gamma   90.00014487
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Co3H32C12(NO2)6
_chemical_formula_sum   'Fe4 Co6 H64 C24 N12 O24'
_cell_volume   1202.93974179
_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  0.08572571  0.85610258  0.73314120  1
  Co  Co1  1  0.58573414  0.64388989  0.76685628  1
  Co  Co2  1  0.91425151  0.14390777  0.26685644  1
  Co  Co3  1  0.41425531  0.35610936  0.23314778  1
  Fe  Fe4  1  0.92859086  0.53637900  0.72608980  1
  Fe  Fe5  1  0.42859212  0.96361436  0.77391348  1
  Fe  Fe6  1  0.07140615  0.46361944  0.27391163  1
  Fe  Fe7  1  0.57140240  0.03638701  0.22608658  1
  Co  Co8  1  -0.00007977  1.00009243  0.99998107  1
  Co  Co9  1  0.49995211  0.49994279  0.50001320  1
  H  H10  1  0.19264761  0.19771129  0.08876134  1
  H  H11  1  0.69263693  0.30228206  0.41124063  1
  H  H12  1  0.80738349  0.80224933  0.91124323  1
  H  H13  1  0.30738502  0.69774448  0.58876350  1
  H  H14  1  0.27874439  0.09719249  0.98882568  1
  H  H15  1  0.77873973  0.40279869  0.51117251  1
  H  H16  1  0.72126657  0.90275378  0.01116685  1
  H  H17  1  0.22127378  0.59723212  0.48884252  1
  H  H18  1  0.54085760  0.45068890  0.85250105  1
  H  H19  1  0.04084055  0.04927839  0.64747494  1
  H  H20  1  0.45913082  0.54933271  0.14751726  1
  H  H21  1  0.95913974  0.95069371  0.35249459  1
  H  H22  1  0.52747773  0.21867369  0.89226091  1
  H  H23  1  0.02747465  0.28131741  0.60773420  1
  H  H24  1  0.47253210  0.78132222  0.10773278  1
  H  H25  1  0.97253598  0.71869252  0.39227715  1
  H  H26  1  0.75545046  0.02516582  0.85890744  1
  H  H27  1  0.25544393  0.47482335  0.64108295  1
  H  H28  1  0.24454597  0.97482501  0.14106605  1
  H  H29  1  0.74455884  0.52518150  0.35893391  1
  H  H30  1  0.90132950  0.08130815  0.79551045  1
  H  H31  1  0.40131903  0.41870374  0.70449614  1
  H  H32  1  0.09867692  0.91870999  0.20448800  1
  H  H33  1  0.59869198  0.58128463  0.29550335  1
  H  H34  1  0.21035331  0.32496559  0.96509082  1
  H  H35  1  0.71034471  0.17503019  0.53491032  1
  H  H36  1  0.78967874  0.67501308  0.03492263  1
  H  H37  1  0.28967258  0.82498127  0.46508523  1
  H  H38  1  0.17400593  0.17057741  0.87175158  1
  H  H39  1  0.67400032  0.32941628  0.62825113  1
  H  H40  1  0.82601893  0.82940953  0.12825726  1
  H  H41  1  0.32600820  0.67058779  0.37174834  1
  H  H42  1  0.59038151  0.36941317  0.05481354  1
  H  H43  1  0.09038367  0.13057029  0.44517950  1
  H  H44  1  0.40962108  0.63057044  0.94517708  1
  H  H45  1  0.90961035  0.86946584  0.55483767  1
  H  H46  1  0.73896968  0.43032825  -0.00343256  1
  H  H47  1  0.23897883  0.06966772  0.50343368  1
  H  H48  1  0.26102767  0.56966786  1.00343366  1
  H  H49  1  0.76100527  0.93033511  0.49656115  1
  H  H50  1  0.81030588  0.26596377  0.10318867  1
  H  H51  1  0.31030794  0.23403270  0.39681071  1
  H  H52  1  0.18970069  0.73401067  0.89680570  1
  H  H53  1  0.68969169  0.76598076  0.60319409  1
  H  H54  1  0.70292734  0.13101090  0.03039407  1
  H  H55  1  0.20292546  0.36898034  0.46960345  1
  H  H56  1  0.29706464  0.86897832  0.96959677  1
  H  H57  1  0.79707314  0.63103320  0.53040347  1
  H  H58  1  0.79064886  0.31492450  0.80723503  1
  H  H59  1  0.29064435  0.18506991  0.69276331  1
  H  H60  1  0.20936374  0.68508042  0.19276478  1
  H  H61  1  0.70936971  0.81492639  0.30723942  1
  H  H62  1  0.67439374  0.17428361  0.75022088  1
  H  H63  1  0.17438639  0.32570967  0.74977569  1
  H  H64  1  0.32561504  0.82572443  0.24977227  1
  H  H65  1  0.82562927  0.67428684  0.25023334  1
  H  H66  1  0.97568725  0.42947869  0.10521856  1
  H  H67  1  0.47568765  0.07051943  0.39478062  1
  H  H68  1  0.02431260  0.57051262  0.89478139  1
  H  H69  1  0.52431358  0.92948364  0.60521897  1
  H  H70  1  0.97016343  0.36881857  0.92397961  1
  H  H71  1  0.47015711  0.13117616  0.57602123  1
  H  H72  1  0.02986247  0.63116288  0.07602325  1
  H  H73  1  0.52985375  0.86882888  0.42397077  1
  C  C74  1  0.81923119  0.11753566  0.85308949  1
  C  C75  1  0.31922981  0.38246272  0.64691129  1
  C  C76  1  0.18076577  0.88246455  0.14690162  1
  C  C77  1  0.68077320  0.61753643  0.35309488  1
  C  C78  1  0.14349739  0.22905224  0.94849956  1
  C  C79  1  0.64348989  0.27094370  0.55150301  1
  C  C80  1  0.85653123  0.77092910  0.05151104  1
  C  C81  1  0.35652616  0.72906649  0.44849411  1
  C  C82  1  0.67377977  0.33580441  0.99609210  1
  C  C83  1  0.17378210  0.16418684  0.50390505  1
  C  C84  1  0.32622183  0.66418907  0.00390333  1
  C  C85  1  0.82621335  0.83582504  0.49610204  1
  C  C86  1  0.76657580  0.22462657  0.02792313  1
  C  C87  1  0.26657664  0.27536735  0.47207714  1
  C  C88  1  0.23342174  0.77536100  0.97207355  1
  C  C89  1  0.73341981  0.72464407  0.52792555  1
  C  C90  1  0.72455761  0.22784550  0.82173268  1
  C  C91  1  0.22455399  0.27214956  0.67826550  1
  C  C92  1  0.27544823  0.77216146  0.17826238  1
  C  C93  1  0.77545560  0.72784628  0.32174110  1
  C  C94  1  0.99304326  0.27243450  0.95272967  1
  C  C95  1  0.49303590  0.22756334  0.54727288  1
  C  C96  1  0.00698480  0.72755762  0.04727698  1
  C  C97  1  0.50697981  0.77243804  0.45272095  1
  N  N98  1  0.88448743  0.17464983  0.95462593  1
  N  N99  1  0.38448545  0.32534552  0.54537441  1
  N  N100  1  0.11551709  0.82533100  0.04536598  1
  N  N101  1  0.61551770  0.67466435  0.45463064  1
  N  N102  1  0.17912742  0.13640095  0.01624085  1
  N  N103  1  0.67912031  0.36359358  0.48376122  1
  N  N104  1  0.82089603  0.86356181  0.98376381  1
  N  N105  1  0.32089868  0.63643259  0.51624289  1
  N  N106  1  0.61549140  0.28770605  0.89529036  1
  N  N107  1  0.11548939  0.21228679  0.60470619  1
  N  N108  1  0.38451210  0.71229635  0.10470419  1
  N  N109  1  0.88451437  0.78771505  0.39530319  1
  O  O110  1  0.04999708  0.92399756  0.87192811  1
  O  O111  1  0.55003671  0.57604996  0.62806032  1
  O  O112  1  0.94989913  0.07613367  0.12804723  1
  O  O113  1  0.44990760  0.42388005  0.37195614  1
  O  O114  1  -0.01746926  0.97279684  0.66525372  1
  O  O115  1  0.48253432  0.52712198  0.83466984  1
  O  O116  1  1.01745800  0.02711732  0.33464640  1
  O  O117  1  0.51745911  0.47293557  0.16539153  1
  O  O118  1  0.88997179  0.39135404  0.62249875  1
  O  O119  1  0.38997084  0.10863642  0.87750488  1
  O  O120  1  0.11003229  0.60865246  0.37749511  1
  O  O121  1  0.61003177  0.89135939  0.12249856  1
  O  O122  1  0.03472684  0.67836272  0.68306105  1
  O  O123  1  0.53473351  0.82163372  0.81694134  1
  O  O124  1  0.96526641  0.32164905  0.31695401  1
  O  O125  1  0.46526756  0.17836689  0.18305005  1
  O  O126  1  0.27071059  0.86347014  0.70364552  1
  O  O127  1  0.77071491  0.63652331  0.79636715  1
  O  O128  1  0.72927277  0.13653726  0.29637379  1
  O  O129  1  0.22927669  0.36346994  0.20362673  1
  O  O130  1  0.02914716  0.48771465  0.83781507  1
  O  O131  1  0.52914297  1.01228159  0.66218576  1
  O  O132  1  0.97084686  0.51227903  0.16218378  1
  O  O133  1  0.47084589  -0.01227838  0.33781388  1
