# generated using pymatgen
data_Cr2Fe3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37823816
_cell_length_b   9.73767679
_cell_length_c   13.67987166
_cell_angle_alpha   103.42797012
_cell_angle_beta   90.00000584
_cell_angle_gamma   90.00012429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Fe3H32C12(NO2)6
_chemical_formula_sum   'Cr4 Fe6 H64 C24 N12 O24'
_cell_volume   1215.12474872
_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  0.09304972  0.86007238  0.73151879  1
  Cr  Cr1  1  0.59305306  0.63992310  0.76848263  1
  Cr  Cr2  1  0.90694841  0.13992616  0.26848078  1
  Cr  Cr3  1  0.40694631  0.36007940  0.23151845  1
  Fe  Fe4  1  0.94135407  0.55333526  0.72764751  1
  Fe  Fe5  1  0.44135331  0.94665837  0.77235341  1
  Fe  Fe6  1  0.05864604  0.44666156  0.27235485  1
  Fe  Fe7  1  0.55864567  0.05334406  0.22764386  1
  Fe  Fe8  1  0.00000059  1.00000069  1.00000047  1
  Fe  Fe9  1  0.50000115  0.49999996  0.49999978  1
  H  H10  1  0.19420862  0.19574984  0.08793847  1
  H  H11  1  0.69420826  0.30424996  0.41206053  1
  H  H12  1  0.80579411  0.80424820  0.91206031  1
  H  H13  1  0.30579587  0.69575252  0.58794123  1
  H  H14  1  0.28047636  0.10301339  0.98667310  1
  H  H15  1  0.78047693  0.39698602  0.51332451  1
  H  H16  1  0.71952392  0.89698769  0.01332595  1
  H  H17  1  0.21952384  0.60301350  0.48667743  1
  H  H18  1  0.57893273  0.38032753  0.86678997  1
  H  H19  1  0.07893468  0.11966804  0.63321199  1
  H  H20  1  0.42106718  0.61967371  0.13321060  1
  H  H21  1  0.92106561  0.88033112  0.36678692  1
  H  H22  1  0.47540335  0.17350821  0.89029460  1
  H  H23  1  -0.02459904  0.32648376  0.60970719  1
  H  H24  1  0.52459411  0.82649379  0.10970032  1
  H  H25  1  1.02459753  0.67351521  0.39029745  1
  H  H26  1  0.76104862  0.03476568  0.85321823  1
  H  H27  1  0.26104804  0.46523128  0.64678429  1
  H  H28  1  0.23895341  0.96523571  0.14678109  1
  H  H29  1  0.73895595  0.53476726  0.35321765  1
  H  H30  1  0.91317363  0.09538001  0.79875173  1
  H  H31  1  0.41317447  0.40461899  0.70125069  1
  H  H32  1  0.08682616  0.90462297  0.20124815  1
  H  H33  1  0.58682701  0.59537615  0.29874964  1
  H  H34  1  0.20734922  0.33323034  0.96935220  1
  H  H35  1  0.70734889  0.16676793  0.53064501  1
  H  H36  1  0.79265040  0.66676908  0.03064722  1
  H  H37  1  0.29265217  0.83323248  0.46935538  1
  H  H38  1  0.16342276  0.18454535  0.87295685  1
  H  H39  1  0.66342895  0.31545384  0.62704140  1
  H  H40  1  0.83657128  0.81545491  0.12704197  1
  H  H41  1  0.33656530  0.68454537  0.37295968  1
  H  H42  1  0.58102071  0.36736037  0.04169019  1
  H  H43  1  0.08102174  0.13263535  0.45831205  1
  H  H44  1  0.41897846  0.63263936  0.95830981  1
  H  H45  1  0.91897822  0.86736692  0.54168740  1
  H  H46  1  0.73688353  0.44210532  0.00429586  1
  H  H47  1  0.23688566  0.05789302  0.49570565  1
  H  H48  1  0.26311609  0.55789430  0.99570321  1
  H  H49  1  0.76311411  0.94210851  0.50429416  1
  H  H50  1  0.79629165  0.26721067  0.10148241  1
  H  H51  1  0.29629087  0.23278912  0.39851946  1
  H  H52  1  0.20370657  0.73278801  0.89851634  1
  H  H53  1  0.70370928  0.76721345  0.60148208  1
  H  H54  1  0.69408485  0.13469926  0.02185601  1
  H  H55  1  0.19408415  0.36529854  0.47814720  1
  H  H56  1  0.30591495  0.86529912  0.97814293  1
  H  H57  1  0.80591779  0.63470411  0.52185418  1
  H  H58  1  0.80763795  0.32287276  0.80104441  1
  H  H59  1  0.30764086  0.17712388  0.69895626  1
  H  H60  1  0.19236123  0.67713051  0.19895534  1
  H  H61  1  0.69235886  0.82287118  0.30104248  1
  H  H62  1  0.68724696  0.18632253  0.74639306  1
  H  H63  1  0.18724998  0.31367165  0.75360928  1
  H  H64  1  0.31275332  0.81367820  0.25360630  1
  H  H65  1  0.81275249  0.68632544  0.24639157  1
  H  H66  1  0.96295813  0.42576534  0.10566680  1
  H  H67  1  0.46295966  0.07423506  0.39433020  1
  H  H68  1  0.03704447  0.57423206  0.89432724  1
  H  H69  1  0.53704157  0.92576775  0.60567570  1
  H  H70  1  0.96786829  0.37653207  0.93168324  1
  H  H71  1  0.46787149  0.12346738  0.56831795  1
  H  H72  1  0.03213125  0.62347061  0.06831630  1
  H  H73  1  0.53212846  0.87652928  0.43168113  1
  C  C74  1  0.82569170  0.12811475  0.85193910  1
  C  C75  1  0.32569267  0.37188325  0.64806300  1
  C  C76  1  0.17430810  0.87188792  0.14806029  1
  C  C77  1  0.67430867  0.62811347  0.35193802  1
  C  C78  1  0.14065373  0.23758505  0.95188675  1
  C  C79  1  0.64065549  0.26241393  0.54811238  1
  C  C80  1  0.85934370  0.76241473  0.04811331  1
  C  C81  1  0.35934346  0.73758586  0.45188751  1
  C  C82  1  0.67417693  0.34339775  0.99222840  1
  C  C83  1  0.17417824  0.15659948  0.50777352  1
  C  C84  1  0.32582185  0.65660202  0.00777118  1
  C  C85  1  0.82582146  0.84340162  0.49222624  1
  C  C86  1  0.75909764  0.22873404  0.02427681  1
  C  C87  1  0.25909798  0.27126446  0.47572527  1
  C  C88  1  0.24090079  0.77126570  0.97572221  1
  C  C89  1  0.74090249  0.72873695  0.52427590  1
  C  C90  1  0.73795560  0.23915406  0.81739040  1
  C  C91  1  0.23795789  0.26084218  0.68261128  1
  C  C92  1  0.26204402  0.76084831  0.18260916  1
  C  C93  1  0.76204306  0.73915433  0.31738855  1
  C  C94  1  0.99085594  0.28223548  0.96119641  1
  C  C95  1  0.49085751  0.21776379  0.53880465  1
  C  C96  1  0.00914252  0.71776703  0.03880392  1
  C  C97  1  0.50914216  0.78223348  0.46119440  1
  N  N98  1  0.88158642  0.18175475  0.95600975  1
  N  N99  1  0.38158701  0.31824390  0.54399216  1
  N  N100  1  0.11841289  0.81824758  0.04398956  1
  N  N101  1  0.61841375  0.68175401  0.45600869  1
  N  N102  1  0.18124946  0.13987997  0.01474584  1
  N  N103  1  0.68124971  0.36011963  0.48525322  1
  N  N104  1  0.81875004  0.86011894  0.98525328  1
  N  N105  1  0.31875107  0.63988175  0.51474793  1
  N  N106  1  0.62651656  0.29677658  0.88893096  1
  N  N107  1  0.12651849  0.20321904  0.61107116  1
  N  N108  1  0.37348180  0.70322329  0.11106856  1
  N  N109  1  0.87348103  0.79678114  0.38892878  1
  O  O110  1  0.05557898  0.90430018  0.85654651  1
  O  O111  1  0.55558534  0.59569729  0.64345354  1
  O  O112  1  0.94441835  0.09569940  0.14345335  1
  O  O113  1  0.44441366  0.40430320  0.35654734  1
  O  O114  1  0.01828771  0.97367145  0.67403301  1
  O  O115  1  0.51828635  0.52632347  0.82596626  1
  O  O116  1  0.98171263  0.02632783  0.32596635  1
  O  O117  1  0.48171334  0.47368078  0.17403634  1
  O  O118  1  0.89910171  0.39972067  0.62061288  1
  O  O119  1  0.39910339  0.10027151  0.87938996  1
  O  O120  1  0.10089605  0.60027700  0.37939010  1
  O  O121  1  0.60089387  0.89973140  0.12060665  1
  O  O122  1  0.03521550  0.69183914  0.67344479  1
  O  O123  1  0.53522153  0.80815852  0.82655407  1
  O  O124  1  0.96477867  0.30816105  0.32655442  1
  O  O125  1  0.46477682  0.19184396  0.17344575  1
  O  O126  1  0.27603719  0.85258230  0.70920097  1
  O  O127  1  0.77604094  0.64740813  0.79080127  1
  O  O128  1  0.72396153  0.14741267  0.29079649  1
  O  O129  1  0.22395889  0.35259523  0.20920268  1
  O  O130  1  0.04312530  0.50009933  0.83222439  1
  O  O131  1  0.54312510  0.99990062  0.66777823  1
  O  O132  1  0.95688444  0.49989608  0.16777220  1
  O  O133  1  0.45688289  0.00010482  0.33222485  1
