# generated using pymatgen
data_CrFe2Co2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35290763
_cell_length_b   9.71482034
_cell_length_c   13.62032111
_cell_angle_alpha   103.60696730
_cell_angle_beta   90.00003023
_cell_angle_gamma   90.00016157
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2Co2H32C12(NO2)6
_chemical_formula_sum   'Cr2 Fe4 Co4 H64 C24 N12 O24'
_cell_volume   1202.83158903
_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  0.08157906  0.84615565  0.73122548  1
  Co  Co1  1  0.58158117  0.65383243  0.76877869  1
  Co  Co2  1  0.91842366  0.15383976  0.26877704  1
  Co  Co3  1  0.41841537  0.34616731  0.23122364  1
  Fe  Fe4  1  0.92062022  0.53282614  0.72641154  1
  Fe  Fe5  1  0.42061633  0.96716275  0.77358370  1
  Fe  Fe6  1  0.07937768  0.46717608  0.27359028  1
  Fe  Fe7  1  0.57938468  0.03283394  0.22641589  1
  Cr  Cr8  1  -0.00000014  1.00000028  0.99999883  1
  Cr  Cr9  1  0.50000035  0.50000052  0.50000183  1
  H  H10  1  0.19607999  0.19735855  0.08794989  1
  H  H11  1  0.69608075  0.30264256  0.41204862  1
  H  H12  1  0.80391940  0.80264092  0.91204965  1
  H  H13  1  0.30392034  0.69735842  0.58795218  1
  H  H14  1  0.27919915  0.10033001  0.98470403  1
  H  H15  1  0.77919953  0.39967131  0.51529325  1
  H  H16  1  0.72080057  0.89967041  0.01529511  1
  H  H17  1  0.22080030  0.60032863  0.48470894  1
  H  H18  1  0.52652409  0.46923390  0.87505841  1
  H  H19  1  0.02653015  0.03076521  0.62492340  1
  H  H20  1  0.47347597  0.53077733  0.12495324  1
  H  H21  1  0.97347088  0.96924049  0.37506269  1
  H  H22  1  0.52086196  0.22416906  0.90009855  1
  H  H23  1  0.02086116  0.27582107  0.59990019  1
  H  H24  1  0.47913665  0.77583269  0.09990042  1
  H  H25  1  0.97913886  0.72417810  0.40010335  1
  H  H26  1  0.74544300  0.02407420  0.85987457  1
  H  H27  1  0.24543613  0.47591637  0.64012456  1
  H  H28  1  0.25455836  0.97592603  0.14011922  1
  H  H29  1  0.75456460  0.52408075  0.35988097  1
  H  H30  1  0.89193028  0.08179416  0.79760815  1
  H  H31  1  0.39192039  0.41820164  0.70239390  1
  H  H32  1  0.10807364  0.91821275  0.20238957  1
  H  H33  1  0.60808240  0.58178958  0.29760820  1
  H  H34  1  0.20185612  0.33048593  0.96966796  1
  H  H35  1  0.70185542  0.16951562  0.53032756  1
  H  H36  1  0.79814474  0.66951376  0.03033029  1
  H  H37  1  0.29814415  0.83048379  0.46967295  1
  H  H38  1  0.17106135  0.17846957  0.87233027  1
  H  H39  1  0.67106229  0.32152759  0.62766750  1
  H  H40  1  0.82893877  0.82152848  0.12766833  1
  H  H41  1  0.32893660  0.67847261  0.37233334  1
  H  H42  1  0.58438222  0.39054515  0.07166053  1
  H  H43  1  0.08438967  0.10946576  0.42833395  1
  H  H44  1  0.41561213  0.60946310  0.92833904  1
  H  H45  1  0.91561728  0.89053371  0.57167670  1
  H  H46  1  0.74373117  0.43306267  -0.00197706  1
  H  H47  1  0.24372705  0.06692894  0.50196735  1
  H  H48  1  0.25627139  0.56693527  1.00197309  1
  H  H49  1  0.75626987  0.93307130  0.49803056  1
  H  H50  1  0.80715082  0.26868427  0.10522385  1
  H  H51  1  0.30715154  0.23131203  0.39477402  1
  H  H52  1  0.19284703  0.73131015  0.89477381  1
  H  H53  1  0.69284727  0.76869391  0.60522682  1
  H  H54  1  0.69386805  0.13616132  0.03429089  1
  H  H55  1  0.19386704  0.36383365  0.46570863  1
  H  H56  1  0.30612993  0.86383582  0.96570438  1
  H  H57  1  0.80613104  0.63616821  0.53429462  1
  H  H58  1  0.78185189  0.31241962  0.80735698  1
  H  H59  1  0.28185132  0.18757025  0.69264196  1
  H  H60  1  0.21814709  0.68758404  0.19264363  1
  H  H61  1  0.71814884  0.81242235  0.30735508  1
  H  H62  1  0.66034178  0.17397113  0.75447358  1
  H  H63  1  0.16033508  0.32601799  0.74552635  1
  H  H64  1  0.33966079  0.82603410  0.24552649  1
  H  H65  1  0.83966818  0.67397429  0.25447351  1
  H  H66  1  0.97182754  0.43119848  0.10705546  1
  H  H67  1  0.47182634  0.06880163  0.39294642  1
  H  H68  1  0.02817228  0.56880191  0.89294404  1
  H  H69  1  0.52817367  0.93119810  0.60705374  1
  H  H70  1  0.96361555  0.36347241  0.92126507  1
  H  H71  1  0.46361781  0.13653271  0.57874051  1
  H  H72  1  0.03638527  0.63653040  0.07873685  1
  H  H73  1  0.53638335  0.86346338  0.42125661  1
  C  C74  1  0.80952425  0.11678283  0.85479160  1
  C  C75  1  0.30951981  0.38321191  0.64520738  1
  C  C76  1  0.19047661  0.88322094  0.14520499  1
  C  C77  1  0.69048111  0.61678270  0.35479427  1
  C  C78  1  0.13914052  0.23205263  0.94998656  1
  C  C79  1  0.63914068  0.26794766  0.55001042  1
  C  C80  1  0.86085955  0.76794666  0.05001208  1
  C  C81  1  0.36085881  0.73205281  0.44999010  1
  C  C82  1  0.67688059  0.33974373  0.99708056  1
  C  C83  1  0.17688399  0.16025172  0.50291754  1
  C  C84  1  0.32311710  0.66025650  0.00291966  1
  C  C85  1  0.82311144  0.83974999  0.49708244  1
  C  C86  1  0.76143186  0.22677997  0.03038670  1
  C  C87  1  0.26143256  0.27321634  0.46961144  1
  C  C88  1  0.23856667  0.77321752  0.96961056  1
  C  C89  1  0.73856462  0.72678410  0.53038990  1
  C  C90  1  0.71496047  0.22766735  0.82428337  1
  C  C91  1  0.21495877  0.27232371  0.67571487  1
  C  C92  1  0.28503886  0.77233675  0.17571536  1
  C  C93  1  0.78504103  0.72766897  0.32428443  1
  C  C94  1  0.98742392  0.27121634  0.95412946  1
  C  C95  1  0.48742485  0.22878360  0.54587096  1
  C  C96  1  0.01257574  0.72878340  0.04586996  1
  C  C97  1  0.51257448  0.77121434  0.45412777  1
  N  N98  1  0.87836589  0.17132094  0.95633993  1
  N  N99  1  0.37836774  0.32868052  0.54366224  1
  N  N100  1  0.12163192  0.82868048  0.04365873  1
  N  N101  1  0.62162892  0.67131560  0.45633867  1
  N  N102  1  0.17942457  0.13699122  0.01534576  1
  N  N103  1  0.67942426  0.36301136  0.48465226  1
  N  N104  1  0.82057569  0.86300906  0.98465306  1
  N  N105  1  0.32057652  0.63698903  0.51534906  1
  N  N106  1  0.61019395  0.29262930  0.90114145  1
  N  N107  1  0.11019031  0.20735694  0.59885137  1
  N  N108  1  0.38980768  0.70737000  0.09885501  1
  N  N109  1  0.88980664  0.79263809  0.40115128  1
  O  O110  1  0.04028351  0.92972011  0.86798719  1
  O  O111  1  0.54029378  0.57028304  0.63200841  1
  O  O112  1  0.95971468  0.07028186  0.13201044  1
  O  O113  1  0.45970446  0.42971386  0.36799329  1
  O  O114  1  -0.02310565  0.94800148  0.64042769  1
  O  O115  1  0.47687981  0.55200907  0.85957731  1
  O  O116  1  1.02311637  0.05201051  0.35957539  1
  O  O117  1  0.52311637  0.44799518  0.14042623  1
  O  O118  1  0.88699534  0.38764730  0.62150377  1
  O  O119  1  0.38699404  0.11233677  0.87849376  1
  O  O120  1  0.11300083  0.61235414  0.37849823  1
  O  O121  1  0.61300310  0.88766621  0.12150338  1
  O  O122  1  0.03543496  0.66776204  0.68225520  1
  O  O123  1  0.53543613  0.83222632  0.81773227  1
  O  O124  1  0.96456399  0.33223375  0.31774020  1
  O  O125  1  0.46457210  0.16778036  0.18227122  1
  O  O126  1  0.26576570  0.86296291  0.70192166  1
  O  O127  1  0.76577081  0.63702606  0.79807514  1
  O  O128  1  0.73423564  0.13703492  0.29807810  1
  O  O129  1  0.23422762  0.36297156  0.20192677  1
  O  O130  1  0.02337738  0.48449558  0.83725504  1
  O  O131  1  0.52337075  1.01550365  0.66274298  1
  O  O132  1  0.97662618  0.51550565  0.16274370  1
  O  O133  1  0.47662746  -0.01550371  0.33725709  1
