# generated using pymatgen
data_Mn2CrFe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35747877
_cell_length_b   9.71108210
_cell_length_c   13.66508723
_cell_angle_alpha   103.37222267
_cell_angle_beta   90.00001653
_cell_angle_gamma   90.00013024
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrFe2H32C12(NO2)6
_chemical_formula_sum   'Mn4 Cr2 Fe4 H64 C24 N12 O24'
_cell_volume   1208.09693645
_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  0.10048593  0.86827518  0.73541537  1
  Fe  Fe1  1  0.60048963  0.63171536  0.76458375  1
  Fe  Fe2  1  0.89951123  0.13172510  0.26458324  1
  Fe  Fe3  1  0.39950729  0.36828737  0.23541820  1
  Mn  Mn4  1  0.95601319  0.56032913  0.72210783  1
  Mn  Mn5  1  0.45601267  0.93966185  0.77789459  1
  Mn  Mn6  1  0.04398505  0.43967456  0.27789381  1
  Mn  Mn7  1  0.54398449  0.06033680  0.22210365  1
  Cr  Cr8  1  0.00000019  0.99999976  0.99999967  1
  Cr  Cr9  1  0.50000018  0.49999992  0.50000073  1
  H  H10  1  0.19321165  0.19525154  0.08999442  1
  H  H11  1  0.69320696  0.30474552  0.41000231  1
  H  H12  1  0.80678869  0.80474863  0.91000482  1
  H  H13  1  0.30679510  0.69525535  0.58999958  1
  H  H14  1  0.27844940  0.09899359  0.98937875  1
  H  H15  1  0.77844810  0.40100443  0.51061579  1
  H  H16  1  0.72155118  0.90100575  0.01062090  1
  H  H17  1  0.22155192  0.59899705  0.48938680  1
  H  H18  1  0.55196689  0.43935359  0.85516707  1
  H  H19  1  0.05196826  0.06063527  0.64482933  1
  H  H20  1  0.44803258  0.56065016  0.14483660  1
  H  H21  1  0.94803125  0.93936744  0.35516926  1
  H  H22  1  0.54712341  0.21527102  0.88426689  1
  H  H23  1  0.04712197  0.28471882  0.61573570  1
  H  H24  1  0.45287541  0.78472881  0.11573154  1
  H  H25  1  0.95287863  0.71528250  0.38426554  1
  H  H26  1  0.77979538  0.03184488  0.84859398  1
  H  H27  1  0.27979404  0.46815208  0.65140795  1
  H  H28  1  0.22020346  0.96815595  0.15140412  1
  H  H29  1  0.72020653  0.53184568  0.34859528  1
  H  H30  1  0.93029748  0.10955870  0.80506916  1
  H  H31  1  0.43029752  0.39043899  0.69493258  1
  H  H32  1  0.06970158  0.89044234  0.19492891  1
  H  H33  1  0.56970328  0.60955754  0.30506876  1
  H  H34  1  0.21642190  0.33059303  0.96610295  1
  H  H35  1  0.71642130  0.16940610  0.53389452  1
  H  H36  1  0.78357917  0.66940542  0.03389485  1
  H  H37  1  0.28357948  0.83059347  0.46610602  1
  H  H38  1  0.15236314  0.18346389  0.87525340  1
  H  H39  1  0.65236806  0.31653695  0.62474454  1
  H  H40  1  0.84763818  0.81653367  0.12474568  1
  H  H41  1  0.34763341  0.68346169  0.37525672  1
  H  H42  1  0.58302450  0.36357140  0.04758377  1
  H  H43  1  0.08302214  0.13642505  0.45241654  1
  H  H44  1  0.41697640  0.63642731  0.95241583  1
  H  H45  1  0.91697745  0.86357774  0.54758239  1
  H  H46  1  0.73887115  0.43041131  0.00297771  1
  H  H47  1  0.23887354  0.06958650  0.49702269  1
  H  H48  1  0.26112784  0.56958840  0.99702247  1
  H  H49  1  0.76112496  0.93041366  0.50297548  1
  H  H50  1  0.79546343  0.25834670  0.10489982  1
  H  H51  1  0.29546125  0.24165462  0.39510139  1
  H  H52  1  0.20453785  0.74165147  0.89509876  1
  H  H53  1  0.70454102  0.75834752  0.60489983  1
  H  H54  1  0.69306505  0.12611813  0.02444527  1
  H  H55  1  0.19306273  0.37387928  0.47555818  1
  H  H56  1  0.30693600  0.87388053  0.97555372  1
  H  H57  1  0.80693957  0.62612280  0.52444232  1
  H  H58  1  0.80682977  0.33178830  0.81410905  1
  H  H59  1  0.30683226  0.16820908  0.68589284  1
  H  H60  1  0.19317025  0.66821466  0.18589220  1
  H  H61  1  0.69316835  0.83178468  0.31410353  1
  H  H62  1  0.70233843  0.18784091  0.74845705  1
  H  H63  1  0.20233894  0.31215522  0.75154408  1
  H  H64  1  0.29766251  0.81216347  0.25154197  1
  H  H65  1  0.79766454  0.68783629  0.24845667  1
  H  H66  1  0.98419698  0.35431535  0.05638248  1
  H  H67  1  0.48419415  0.14568355  0.44361862  1
  H  H68  1  0.01580385  0.64568401  0.94361583  1
  H  H69  1  0.51580689  0.85431686  0.55638194  1
  H  H70  1  0.96738337  0.36740823  0.92744527  1
  H  H71  1  0.46738372  0.13259232  0.57255648  1
  H  H72  1  0.03261814  0.63259194  0.07255335  1
  H  H73  1  0.53261706  0.86740644  0.42744361  1
  C  C74  1  0.83903191  0.13107223  0.85589686  1
  C  C75  1  0.33903029  0.36892550  0.64410392  1
  C  C76  1  0.16096771  0.86892877  0.14410184  1
  C  C77  1  0.66097066  0.63107177  0.35589776  1
  C  C78  1  0.14239867  0.24046725  0.95394308  1
  C  C79  1  0.64239875  0.25953223  0.54605548  1
  C  C80  1  0.85760216  0.75953169  0.04605552  1
  C  C81  1  0.35760227  0.74046732  0.45394585  1
  C  C82  1  0.67351847  0.33437443  0.99531136  1
  C  C83  1  0.17351959  0.16562159  0.50468986  1
  C  C84  1  0.32648076  0.66562472  0.00468828  1
  C  C85  1  0.82647961  0.83437932  0.49530926  1
  C  C86  1  0.75966395  0.21961406  0.02753389  1
  C  C87  1  0.25966282  0.28038418  0.47246751  1
  C  C88  1  0.24033704  0.78038494  0.97246486  1
  C  C89  1  0.74033817  0.71961683  0.52753298  1
  C  C90  1  0.74404094  0.23964772  0.82280362  1
  C  C91  1  0.24404209  0.26034872  0.67719774  1
  C  C92  1  0.25595843  0.76035400  0.17719598  1
  C  C93  1  0.75595909  0.73964702  0.32280185  1
  C  C94  1  0.99195987  0.29579567  0.97708553  1
  C  C95  1  0.49195927  0.20420397  0.52291532  1
  C  C96  1  0.00804080  0.70420394  0.02291309  1
  C  C97  1  0.50804162  0.79579548  0.47708507  1
  N  N98  1  0.88628386  0.17724776  0.96198676  1
  N  N99  1  0.38628322  0.32275125  0.53801488  1
  N  N100  1  0.11371694  0.82275159  0.03801167  1
  N  N101  1  0.61371751  0.67724843  0.46198640  1
  N  N102  1  0.18103058  0.14075866  0.01630724  1
  N  N103  1  0.68102840  0.35923940  0.48368967  1
  N  N104  1  0.81896980  0.85924098  0.98369209  1
  N  N105  1  0.31897286  0.64076077  0.51631207  1
  N  N106  1  0.62622961  0.29107179  0.89121418  1
  N  N107  1  0.12623107  0.20892110  0.60878639  1
  N  N108  1  0.37377017  0.70892884  0.10878563  1
  N  N109  1  0.87376903  0.79107879  0.39121308  1
  O  O110  1  0.04940788  0.92323826  0.87173554  1
  O  O111  1  0.54941509  0.57676210  0.62826222  1
  O  O112  1  0.95059102  0.07676300  0.12826276  1
  O  O113  1  0.45058431  0.42323622  0.37174072  1
  O  O114  1  -0.00032859  0.98226246  0.66545901  1
  O  O115  1  0.49967096  0.51772385  0.83453401  1
  O  O116  1  1.00032793  0.01774015  0.33454001  1
  O  O117  1  0.50032811  0.48228136  0.16547163  1
  O  O118  1  0.91387084  0.42570435  0.62672467  1
  O  O119  1  0.41387685  0.07428352  0.87328149  1
  O  O120  1  0.08612926  0.57429294  0.37328121  1
  O  O121  1  0.58612093  0.92572102  0.12671300  1
  O  O122  1  0.04974348  0.67926408  0.66944919  1
  O  O123  1  0.54974808  0.82072537  0.83054917  1
  O  O124  1  0.95025005  0.32073730  0.33054774  1
  O  O125  1  0.45025017  0.17927817  0.16945304  1
  O  O126  1  0.30365424  0.85425116  0.71964580  1
  O  O127  1  0.80365651  0.64573899  0.78035827  1
  O  O128  1  0.69634268  0.14574291  0.28035531  1
  O  O129  1  0.19634089  0.35426541  0.21964249  1
  O  O130  1  0.05407650  0.51232173  0.80994510  1
  O  O131  1  0.55407077  0.98767384  0.69005607  1
  O  O132  1  0.94592379  0.48769171  0.19005946  1
  O  O133  1  0.44592529  0.01231702  0.30993818  1
