# generated using pymatgen
data_Cr2Fe2CoH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36841715
_cell_length_b   9.72104152
_cell_length_c   13.67597007
_cell_angle_alpha   103.36706599
_cell_angle_beta   90.00001142
_cell_angle_gamma   90.00012747
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Fe2CoH32C12(NO2)6
_chemical_formula_sum   'Cr4 Fe4 Co2 H64 C24 N12 O24'
_cell_volume   1211.73973420
_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  0.09669169  0.85785154  0.72833099  1
  Cr  Cr1  1  0.59670238  0.64217474  0.77168583  1
  Cr  Cr2  1  0.90329223  0.14217879  0.27168506  1
  Cr  Cr3  1  0.40330260  0.35785661  0.22833214  1
  Fe  Fe4  1  0.94608262  0.55366560  0.72846028  1
  Fe  Fe5  1  0.44607861  0.94633166  0.77155006  1
  Fe  Fe6  1  0.05392379  0.44633163  0.27154154  1
  Fe  Fe7  1  0.55391687  0.05367126  0.22846154  1
  Co  Co8  1  -0.00000133  1.00001059  1.00019894  1
  Co  Co9  1  0.50000988  0.50000540  0.50020321  1
  H  H10  1  0.18988491  0.18872161  0.08702788  1
  H  H11  1  0.68982313  0.31132235  0.41297222  1
  H  H12  1  0.81018324  0.81132969  0.91297541  1
  H  H13  1  0.31012660  0.68872011  0.58702583  1
  H  H14  1  0.27670290  0.09463044  0.98750082  1
  H  H15  1  0.77672299  0.40534609  0.51249749  1
  H  H16  1  0.72328340  0.90535464  0.01250035  1
  H  H17  1  0.22330339  0.59461955  0.48750795  1
  H  H18  1  0.58405175  0.37839883  0.86729692  1
  H  H19  1  0.08405485  0.12159699  0.63270012  1
  H  H20  1  0.41594710  0.62160471  0.13270024  1
  H  H21  1  0.91594711  0.87840217  0.36729271  1
  H  H22  1  0.48078177  0.16958947  0.88780188  1
  H  H23  1  -0.01921693  0.33040363  0.61220626  1
  H  H24  1  0.51921269  0.83041749  0.11220242  1
  H  H25  1  1.01921282  0.66958880  0.38778994  1
  H  H26  1  0.76886480  0.02893982  0.85139971  1
  H  H27  1  0.26886738  0.47105315  0.64858383  1
  H  H28  1  0.23113313  0.97105793  0.14858014  1
  H  H29  1  0.73114484  0.52893950  0.35139710  1
  H  H30  1  0.92116823  0.09662465  0.80251176  1
  H  H31  1  0.42117644  0.40336401  0.69746372  1
  H  H32  1  0.07882674  0.90337051  0.19746359  1
  H  H33  1  0.57884489  0.59661108  0.30250245  1
  H  H34  1  0.20905158  0.32893186  0.96984962  1
  H  H35  1  0.70906067  0.17106292  0.53015014  1
  H  H36  1  0.79093792  0.67107009  0.03015151  1
  H  H37  1  0.29094845  0.82892187  0.46984870  1
  H  H38  1  0.16633680  0.18132563  0.87229665  1
  H  H39  1  0.66634268  0.31864964  0.62770188  1
  H  H40  1  0.83365483  0.81865561  0.12770344  1
  H  H41  1  0.33363983  0.68131438  0.37229769  1
  H  H42  1  0.58207889  0.36565847  0.04179008  1
  H  H43  1  0.08207147  0.13432770  0.45820670  1
  H  H44  1  0.41792701  0.63433254  0.95820540  1
  H  H45  1  0.91791315  0.86566182  0.54178597  1
  H  H46  1  0.74009153  0.43956449  0.00671402  1
  H  H47  1  0.24008778  0.06042567  0.49328150  1
  H  H48  1  0.25991430  0.56042828  0.99328273  1
  H  H49  1  0.75990412  0.93956556  0.50670496  1
  H  H50  1  0.79474454  0.26369801  0.10355953  1
  H  H51  1  0.29473024  0.23628456  0.39642062  1
  H  H52  1  0.20526566  0.73628500  0.89642070  1
  H  H53  1  0.70524609  0.76369928  0.60355184  1
  H  H54  1  0.69401489  0.13151477  0.02223246  1
  H  H55  1  0.19401029  0.36847448  0.47775800  1
  H  H56  1  0.30598618  0.86847718  0.97775667  1
  H  H57  1  0.80598497  0.63151886  0.52222840  1
  H  H58  1  0.81222663  0.31988825  0.80180541  1
  H  H59  1  0.31223322  0.18011277  0.69818564  1
  H  H60  1  0.18777251  0.68012281  0.19818792  1
  H  H61  1  0.68777715  0.81987408  0.30179470  1
  H  H62  1  0.69239594  0.18232865  0.74811403  1
  H  H63  1  0.19240474  0.31767169  0.75187469  1
  H  H64  1  0.30760179  0.81768201  0.25187355  1
  H  H65  1  0.80761727  0.68232398  0.24810982  1
  H  H66  1  0.96517705  0.41911447  0.10532028  1
  H  H67  1  0.46516854  0.08087277  0.39467748  1
  H  H68  1  0.03483643  0.58086876  0.89467568  1
  H  H69  1  0.53483042  0.91913304  0.60532910  1
  H  H70  1  0.96592476  0.37380053  0.93214511  1
  H  H71  1  0.46592094  0.12619468  0.56784767  1
  H  H72  1  0.03407915  0.62618944  0.06784270  1
  H  H73  1  0.53407304  0.87381081  0.43215201  1
  C  C74  1  0.83097245  0.12513993  0.85370653  1
  C  C75  1  0.33097951  0.37485364  0.64626977  1
  C  C76  1  0.16902133  0.87485798  0.14626810  1
  C  C77  1  0.66903256  0.62513716  0.35370233  1
  C  C78  1  0.14140162  0.23379784  0.95100730  1
  C  C79  1  0.64140124  0.26619199  0.54899481  1
  C  C80  1  0.85860165  0.76619742  0.04899870  1
  C  C81  1  0.35860226  0.73378755  0.45099841  1
  C  C82  1  0.67665506  0.34107152  0.99346982  1
  C  C83  1  0.17665177  0.15891741  0.50652244  1
  C  C84  1  0.32334854  0.65892130  0.00652211  1
  C  C85  1  0.82333995  0.84107336  0.49346346  1
  C  C86  1  0.75988059  0.22538513  0.02580826  1
  C  C87  1  0.25987106  0.27459896  0.47417177  1
  C  C88  1  0.24012686  0.77460062  0.97417104  1
  C  C89  1  0.74011651  0.72538732  0.52580305  1
  C  C90  1  0.74309064  0.23622268  0.81890197  1
  C  C91  1  0.24309687  0.26377552  0.68108589  1
  C  C92  1  0.25690808  0.76378441  0.18108573  1
  C  C93  1  0.75691648  0.73621552  0.31889564  1
  C  C94  1  0.99174661  0.27972411  0.96156475  1
  C  C95  1  0.49175379  0.22024901  0.53841042  1
  C  C96  1  0.00824514  0.72024516  0.03840701  1
  C  C97  1  0.50824983  0.77973379  0.46157200  1
  N  N98  1  0.88410622  0.17751387  0.95870655  1
  N  N99  1  0.38410756  0.32246532  0.54126587  1
  N  N100  1  0.11589156  0.82246406  0.04126483  1
  N  N101  1  0.61589371  0.67751649  0.45870237  1
  N  N102  1  0.17777952  0.13400131  0.01350937  1
  N  N103  1  0.67778143  0.36600623  0.48650585  1
  N  N104  1  0.82222454  0.86601263  0.98650898  1
  N  N105  1  0.32222693  0.63399579  0.51350811  1
  N  N106  1  0.63116977  0.29470430  0.88975749  1
  N  N107  1  0.13117272  0.20529000  0.61023522  1
  N  N108  1  0.36883023  0.70529677  0.11023433  1
  N  N109  1  0.86883146  0.79470650  0.38975303  1
  O  O110  1  0.05311160  0.90032693  0.85054562  1
  O  O111  1  0.55312504  0.59976437  0.64943460  1
  O  O112  1  0.94685700  0.09974961  0.14943254  1
  O  O113  1  0.44686069  0.40034188  0.35054906  1
  O  O114  1  0.02439145  0.97003318  0.66829681  1
  O  O115  1  0.52439369  0.52997630  0.83169764  1
  O  O116  1  0.97560469  0.02999080  0.33170363  1
  O  O117  1  0.47560949  0.47003704  0.16829970  1
  O  O118  1  0.90074152  0.39984339  0.62322247  1
  O  O119  1  0.40074364  0.10014662  0.87679074  1
  O  O120  1  0.09926034  0.60015518  0.37678020  1
  O  O121  1  0.59925349  0.89985853  0.12321562  1
  O  O122  1  0.04103411  0.68944058  0.67077298  1
  O  O123  1  0.54104443  0.81056712  0.82925538  1
  O  O124  1  0.95894990  0.31057529  0.32924709  1
  O  O125  1  0.45896581  0.18944683  0.17077824  1
  O  O126  1  0.27977076  0.85019783  0.71024154  1
  O  O127  1  0.77976782  0.64980063  0.78977971  1
  O  O128  1  0.72022677  0.14980814  0.28978239  1
  O  O129  1  0.22022458  0.35019651  0.21023324  1
  O  O130  1  0.04869697  0.50471923  0.83417090  1
  O  O131  1  0.54869058  0.99527504  0.66583598  1
  O  O132  1  0.95131082  0.49526756  0.16582226  1
  O  O133  1  0.45130202  0.00472457  0.33417242  1
