# generated using pymatgen
data_CrFe2Co2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35963944
_cell_length_b   9.72055057
_cell_length_c   13.65021757
_cell_angle_alpha   103.61426190
_cell_angle_beta   90.00000905
_cell_angle_gamma   90.00020992
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2Co2H32C12(NO2)6
_chemical_formula_sum   'Cr2 Fe4 Co4 H64 C24 N12 O24'
_cell_volume   1207.01378144
_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
  Fe  Fe0  1  0.09131342  0.85327604  0.73155647  1
  Fe  Fe1  1  0.59131185  0.64670154  0.76844417  1
  Fe  Fe2  1  0.90868232  0.14671821  0.26844546  1
  Fe  Fe3  1  0.40868618  0.35330510  0.23155732  1
  Co  Co4  1  0.94113336  0.54713392  0.73453446  1
  Co  Co5  1  0.44114039  0.95284633  0.76546588  1
  Co  Co6  1  0.05886494  0.45286481  0.26547134  1
  Co  Co7  1  0.55885749  0.04716109  0.23452730  1
  Cr  Cr8  1  -0.00000097  0.99999847  1.00000055  1
  Cr  Cr9  1  0.49999753  0.49999999  0.50000207  1
  H  H10  1  0.18750367  0.20016345  0.09096730  1
  H  H11  1  0.68750703  0.29983381  0.40903418  1
  H  H12  1  0.81248618  0.79984046  0.90903459  1
  H  H13  1  0.31248928  0.70016526  0.59096672  1
  H  H14  1  0.27318130  0.09996222  0.99141718  1
  H  H15  1  0.77318021  0.40004368  0.50858416  1
  H  H16  1  0.72681312  0.90003691  0.00859144  1
  H  H17  1  0.22682158  0.59995836  0.49141684  1
  H  H18  1  0.53516686  0.46494835  0.87577590  1
  H  H19  1  0.03517256  0.03503498  0.62423164  1
  H  H20  1  0.46482667  0.53505773  0.12424177  1
  H  H21  1  0.96482958  0.96496532  0.37577396  1
  H  H22  1  0.53084596  0.22179342  0.89602323  1
  H  H23  1  0.03083696  0.27820299  0.60397774  1
  H  H24  1  0.46915344  0.77822493  0.10397166  1
  H  H25  1  0.96915850  0.72179330  0.39602634  1
  H  H26  1  0.76650810  0.03290667  0.85512282  1
  H  H27  1  0.26650129  0.46709275  0.64487664  1
  H  H28  1  0.23348460  0.96709708  0.14487265  1
  H  H29  1  0.73350043  0.53290125  0.35512977  1
  H  H30  1  0.91364857  0.10813547  0.80625554  1
  H  H31  1  0.41363193  0.39186692  0.69374136  1
  H  H32  1  0.08635182  0.89186969  0.19373487  1
  H  H33  1  0.58637322  0.60812857  0.30626390  1
  H  H34  1  0.21234019  0.32993787  0.96720381  1
  H  H35  1  0.71233657  0.17006466  0.53279997  1
  H  H36  1  0.78766375  0.67005508  0.03279387  1
  H  H37  1  0.28766686  0.82993848  0.46720077  1
  H  H38  1  0.15237681  0.18208894  0.87463537  1
  H  H39  1  0.65237953  0.31791772  0.62536605  1
  H  H40  1  0.84762560  0.81790289  0.12536391  1
  H  H41  1  0.34762383  0.68208424  0.37463591  1
  H  H42  1  0.58052587  0.38334677  0.06413744  1
  H  H43  1  0.08051605  0.11663967  0.43583251  1
  H  H44  1  0.41943723  0.61666039  0.93587954  1
  H  H45  1  0.91951419  0.88337299  0.56419394  1
  H  H46  1  0.73866062  0.43503072  0.00330559  1
  H  H47  1  0.23864988  0.06494023  0.49666913  1
  H  H48  1  0.26135078  0.56496292  0.99668654  1
  H  H49  1  0.76134397  0.93506525  0.50332974  1
  H  H50  1  0.79887227  0.26987330  0.10926693  1
  H  H51  1  0.29887637  0.23011147  0.39073055  1
  H  H52  1  0.20112798  0.73010944  0.89072738  1
  H  H53  1  0.70112500  0.76989672  0.60926962  1
  H  H54  1  0.69022479  0.13661091  0.03480104  1
  H  H55  1  0.19021256  0.36338223  0.46520209  1
  H  H56  1  0.30978174  0.86338229  0.96519238  1
  H  H57  1  0.80979104  0.63662288  0.53480252  1
  H  H58  1  0.78723696  0.32776174  0.81355720  1
  H  H59  1  0.28723682  0.17224146  0.68644802  1
  H  H60  1  0.21276569  0.67225034  0.18644792  1
  H  H61  1  0.71276424  0.82774891  0.31354629  1
  H  H62  1  0.67637601  0.18225446  0.75687385  1
  H  H63  1  0.17636254  0.31774861  0.74312716  1
  H  H64  1  0.32362882  0.81776176  0.24311937  1
  H  H65  1  0.82364442  0.68223491  0.25687285  1
  H  H66  1  0.98163621  0.36345113  0.05193960  1
  H  H67  1  0.48163251  0.13655251  0.44806398  1
  H  H68  1  0.01836698  0.63654372  0.94805995  1
  H  H69  1  0.51837116  0.86345174  0.55193578  1
  H  H70  1  0.96655023  0.36201030  0.91919218  1
  H  H71  1  0.46654986  0.13799015  0.58081092  1
  H  H72  1  0.03345103  0.63799415  0.08080987  1
  H  H73  1  0.53345322  0.86200136  0.41918604  1
  C  C74  1  0.82510098  0.13199098  0.85973712  1
  C  C75  1  0.32509068  0.36800903  0.64025674  1
  C  C76  1  0.17489852  0.86800905  0.14025543  1
  C  C77  1  0.67491252  0.63198553  0.35974709  1
  C  C78  1  0.13857520  0.23951566  0.95330419  1
  C  C79  1  0.63856931  0.26048476  0.54669850  1
  C  C80  1  0.86143030  0.76047599  0.04669362  1
  C  C81  1  0.36143390  0.73951889  0.45330442  1
  C  C82  1  0.67138840  0.34174747  1.00106066  1
  C  C83  1  0.17137277  0.15823422  0.49893879  1
  C  C84  1  0.32862540  0.65824468  -0.00106097  1
  C  C85  1  0.82862432  0.84176851  0.50105979  1
  C  C86  1  0.75801335  0.22814428  0.03319377  1
  C  C87  1  0.25802478  0.27185669  0.46680936  1
  C  C88  1  0.24198143  0.77185540  0.96680291  1
  C  C89  1  0.74197563  0.72814636  0.53319082  1
  C  C90  1  0.72513429  0.23863470  0.82803536  1
  C  C91  1  0.22514487  0.26137342  0.67196527  1
  C  C92  1  0.27486122  0.76137482  0.17196068  1
  C  C93  1  0.77485359  0.73861609  0.32803206  1
  C  C94  1  0.98804340  0.29669261  0.97404850  1
  C  C95  1  0.48803847  0.20330836  0.52595656  1
  C  C96  1  0.01195662  0.70330616  0.02595084  1
  C  C97  1  0.51196212  0.79668919  0.47404335  1
  N  N98  1  0.88056510  0.18033892  0.96427217  1
  N  N99  1  0.38057459  0.31967226  0.53574394  1
  N  N100  1  0.11943297  0.81966108  0.03572929  1
  N  N101  1  0.61942414  0.68032563  0.46425885  1
  N  N102  1  0.17569006  0.14232722  0.01725482  1
  N  N103  1  0.67568367  0.35767486  0.48274297  1
  N  N104  1  0.82430917  0.85767119  0.98274540  1
  N  N105  1  0.32431120  0.64232266  0.51725564  1
  N  N106  1  0.61340995  0.29511867  0.90105556  1
  N  N107  1  0.11339986  0.20487237  0.59893460  1
  N  N108  1  0.38660093  0.70488463  0.09894161  1
  N  N109  1  0.88659768  0.79512557  0.40106782  1
  O  O110  1  0.04071305  0.93518226  0.86822811  1
  O  O111  1  0.54071702  0.56480565  0.63176288  1
  O  O112  1  0.95928186  0.06481632  0.13176890  1
  O  O113  1  0.45927580  0.43519159  0.36823634  1
  O  O114  1  -0.00632260  0.94704350  0.63813359  1
  O  O115  1  0.49369239  0.55292406  0.86180748  1
  O  O116  1  1.00630714  0.05294994  0.36184693  1
  O  O117  1  0.50634346  0.44707496  0.13818639  1
  O  O118  1  0.89913463  0.40720746  0.64020495  1
  O  O119  1  0.39913767  0.09278408  0.85979603  1
  O  O120  1  0.10086452  0.59277582  0.35980291  1
  O  O121  1  0.60086356  0.90722661  0.14018604  1
  O  O122  1  0.04956124  0.66119565  0.68316077  1
  O  O123  1  0.54955522  0.83878743  0.81684278  1
  O  O124  1  0.95042955  0.33880653  0.31683590  1
  O  O125  1  0.45042522  0.16123627  0.18315860  1
  O  O126  1  0.28814729  0.85666512  0.71021706  1
  O  O127  1  0.78816025  0.64332495  0.78978322  1
  O  O128  1  0.71184752  0.14333117  0.28978233  1
  O  O129  1  0.21183859  0.35668125  0.21021977  1
  O  O130  1  0.02729690  0.49873158  0.82970001  1
  O  O131  1  0.52731279  1.00124163  0.67030032  1
  O  O132  1  0.97270529  0.50128142  0.17031359  1
  O  O133  1  0.47268473  -0.00125903  0.32968216  1
