# generated using pymatgen
data_Mn3Fe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35788868
_cell_length_b   9.71283744
_cell_length_c   13.66637548
_cell_angle_alpha   103.38191192
_cell_angle_beta   90.00001564
_cell_angle_gamma   90.00012887
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Fe2H32C12(NO2)6
_chemical_formula_sum   'Mn6 Fe4 H64 C24 N12 O24'
_cell_volume   1208.43355656
_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  0.10015519  0.86705213  0.73582498  1
  Fe  Fe1  1  0.60015829  0.63294048  0.76417485  1
  Fe  Fe2  1  0.89984150  0.13294821  0.26417393  1
  Fe  Fe3  1  0.39983929  0.36706163  0.23582697  1
  Mn  Mn4  1  0.95540942  0.55999122  0.72245219  1
  Mn  Mn5  1  0.45540863  0.94000034  0.77755032  1
  Mn  Mn6  1  0.04458817  0.44001278  0.27754946  1
  Mn  Mn7  1  0.54458782  0.05999796  0.22244795  1
  Mn  Mn8  1  -0.00000027  0.99999974  0.99999954  1
  Mn  Mn9  1  0.50000022  0.49999987  0.50000065  1
  H  H10  1  0.19012346  0.19376015  0.08995155  1
  H  H11  1  0.69011861  0.30623752  0.41004521  1
  H  H12  1  0.80987835  0.80623932  0.91004748  1
  H  H13  1  0.30988383  0.69376337  0.58995629  1
  H  H14  1  0.27608720  0.09751203  0.98915232  1
  H  H15  1  0.77608556  0.40248753  0.51084278  1
  H  H16  1  0.72391333  0.90248698  0.01084674  1
  H  H17  1  0.22391473  0.59751417  0.48915962  1
  H  H18  1  0.54958118  0.44380788  0.85611697  1
  H  H19  1  0.04958197  0.05618019  0.64388009  1
  H  H20  1  0.45041836  0.55619535  0.14388657  1
  H  H21  1  0.95041885  0.94382217  0.35611878  1
  H  H22  1  0.54560204  0.21656402  0.88445542  1
  H  H23  1  0.04560033  0.28342724  0.61554679  1
  H  H24  1  0.45439787  0.78343636  0.11554320  1
  H  H25  1  0.95440089  0.71657338  0.38445446  1
  H  H26  1  0.78009975  0.03290434  0.84919509  1
  H  H27  1  0.28009895  0.46709135  0.65080632  1
  H  H28  1  0.21989923  0.96709682  0.15080301  1
  H  H29  1  0.71990172  0.53290610  0.34919658  1
  H  H30  1  0.92969794  0.11081611  0.80535365  1
  H  H31  1  0.42969750  0.38918027  0.69464787  1
  H  H32  1  0.07030132  0.88918501  0.19464441  1
  H  H33  1  0.57030357  0.61081678  0.30535352  1
  H  H34  1  0.21611943  0.32902091  0.96655722  1
  H  H35  1  0.71611975  0.17097903  0.53344062  1
  H  H36  1  0.78388138  0.67097812  0.03344140  1
  H  H37  1  0.28388105  0.82902066  0.46655997  1
  H  H38  1  0.15142914  0.18241459  0.87532995  1
  H  H39  1  0.65143160  0.31758551  0.62466797  1
  H  H40  1  0.84857151  0.81758367  0.12466904  1
  H  H41  1  0.34856936  0.68241381  0.37533304  1
  H  H42  1  0.58241220  0.36445419  0.04852066  1
  H  H43  1  0.08241402  0.13554330  0.45147901  1
  H  H44  1  0.41758650  0.63554434  0.95147868  1
  H  H45  1  0.91758542  0.86445923  0.54852030  1
  H  H46  1  0.73756347  0.43138086  0.00301866  1
  H  H47  1  0.23756444  0.06861484  0.49698172  1
  H  H48  1  0.26243520  0.56861870  0.99698183  1
  H  H49  1  0.76243401  0.93138517  0.50301680  1
  H  H50  1  0.79635721  0.25800194  0.10425558  1
  H  H51  1  0.29635485  0.24199899  0.39574547  1
  H  H52  1  0.20364382  0.74199671  0.89574291  1
  H  H53  1  0.70364704  0.75800254  0.60425555  1
  H  H54  1  0.69370462  0.12652632  0.02371864  1
  H  H55  1  0.19370264  0.37347166  0.47628491  1
  H  H56  1  0.30629637  0.87347276  0.97627998  1
  H  H57  1  0.80629920  0.62653008  0.52371609  1
  H  H58  1  0.80478092  0.33186761  0.81273671  1
  H  H59  1  0.30478218  0.16812934  0.68726535  1
  H  H60  1  0.19522000  0.66813638  0.18726486  1
  H  H61  1  0.69521981  0.83186309  0.31273031  1
  H  H62  1  0.70010019  0.18707194  0.74855808  1
  H  H63  1  0.20009984  0.31292457  0.75144278  1
  H  H64  1  0.29990170  0.81293448  0.25144078  1
  H  H65  1  0.79990440  0.68706403  0.24855820  1
  H  H66  1  0.98371841  0.35473832  0.05604954  1
  H  H67  1  0.48371646  0.14525935  0.44395102  1
  H  H68  1  0.01628242  0.64526099  0.94394927  1
  H  H69  1  0.51628457  0.85474116  0.55604921  1
  H  H70  1  0.96899714  0.36906625  0.92714950  1
  H  H71  1  0.46899840  0.13093258  0.57285162  1
  H  H72  1  0.03100415  0.63093369  0.07284955  1
  H  H73  1  0.53100249  0.86906631  0.42714822  1
  C  C74  1  0.83817824  0.13263904  0.85588118  1
  C  C75  1  0.33817771  0.36735710  0.64411988  1
  C  C76  1  0.16182127  0.86736216  0.14411727  1
  C  C77  1  0.66182297  0.63264003  0.35588179  1
  C  C78  1  0.14117174  0.23961329  0.95398036  1
  C  C79  1  0.64117176  0.26038605  0.54601809  1
  C  C80  1  0.85882907  0.76038575  0.04601853  1
  C  C81  1  0.35882915  0.73961377  0.45398292  1
  C  C82  1  0.67222875  0.33553147  0.99546734  1
  C  C83  1  0.17222775  0.16446410  0.50453396  1
  C  C84  1  0.32777116  0.66446754  0.00453239  1
  C  C85  1  0.82777195  0.83553679  0.49546540  1
  C  C86  1  0.75964848  0.22054489  0.02706911  1
  C  C87  1  0.25964759  0.27945320  0.47293250  1
  C  C88  1  0.24035192  0.77945434  0.97292973  1
  C  C89  1  0.74035349  0.72054790  0.52706845  1
  C  C90  1  0.74215318  0.24023389  0.82242384  1
  C  C91  1  0.24215365  0.25976206  0.67757737  1
  C  C92  1  0.25784712  0.75976938  0.17757577  1
  C  C93  1  0.75784832  0.74023205  0.32242189  1
  C  C94  1  0.99113942  0.29671293  0.97672710  1
  C  C95  1  0.49113904  0.20328533  0.52327331  1
  C  C96  1  0.00886149  0.70328674  0.02327166  1
  C  C97  1  0.50886198  0.79671427  0.47672716  1
  N  N98  1  0.88488688  0.18005469  0.96128262  1
  N  N99  1  0.38488664  0.31994339  0.53871863  1
  N  N100  1  0.11511311  0.81994529  0.03871564  1
  N  N101  1  0.61511423  0.68005641  0.46128280  1
  N  N102  1  0.17881369  0.13975096  0.01605440  1
  N  N103  1  0.67881121  0.36024716  0.48394223  1
  N  N104  1  0.82118701  0.86024848  0.98394491  1
  N  N105  1  0.32118971  0.63975328  0.51605919  1
  N  N106  1  0.62503488  0.29197632  0.89139201  1
  N  N107  1  0.12503524  0.20801710  0.60861000  1
  N  N108  1  0.37496504  0.70802464  0.10860786  1
  N  N109  1  0.87496501  0.79198191  0.39138965  1
  O  O110  1  0.05069482  0.91742484  0.87052276  1
  O  O111  1  0.55070546  0.58257724  0.62947533  1
  O  O112  1  0.94930316  0.08257678  0.12947622  1
  O  O113  1  0.44929366  0.41742099  0.37052651  1
  O  O114  1  -0.00217473  0.97609694  0.66186971  1
  O  O115  1  0.49782474  0.52388662  0.83812143  1
  O  O116  1  1.00217457  0.02390582  0.33812931  1
  O  O117  1  0.50217516  0.47611851  0.16188400  1
  O  O118  1  0.91136254  0.42599690  0.62712515  1
  O  O119  1  0.41136582  0.07399282  0.87288016  1
  O  O120  1  0.08863778  0.57399999  0.37288043  1
  O  O121  1  0.58863292  0.92601176  0.12711463  1
  O  O122  1  0.05040327  0.67689346  0.66957956  1
  O  O123  1  0.55040786  0.82309843  0.83042003  1
  O  O124  1  0.94959012  0.32310846  0.33041754  1
  O  O125  1  0.44958737  0.17690343  0.16958209  1
  O  O126  1  0.30409755  0.85472066  0.71839157  1
  O  O127  1  0.80410044  0.64526964  0.78161345  1
  O  O128  1  0.69589904  0.14527478  0.28160920  1
  O  O129  1  0.19589695  0.35473530  0.21838707  1
  O  O130  1  0.05241172  0.51070454  0.81025162  1
  O  O131  1  0.55240565  0.98929016  0.68974920  1
  O  O132  1  0.94758649  0.48930985  0.18975365  1
  O  O133  1  0.44759002  0.01069979  0.31024531  1
