# generated using pymatgen
data_Mn2Fe2NiH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35994778
_cell_length_b   9.71092924
_cell_length_c   13.65940742
_cell_angle_alpha   103.36656812
_cell_angle_beta   90.00001119
_cell_angle_gamma   90.00012516
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Fe2NiH32C12(NO2)6
_chemical_formula_sum   'Mn4 Fe4 Ni2 H64 C24 N12 O24'
_cell_volume   1207.92274736
_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
  Mn  Mn0  1  0.09604680  0.85997494  0.72828826  1
  Mn  Mn1  1  0.59604893  0.64001928  0.77171013  1
  Mn  Mn2  1  0.90395147  0.14002510  0.27171094  1
  Mn  Mn3  1  0.40394961  0.35998218  0.22829125  1
  Fe  Fe4  1  0.94555662  0.55534041  0.72948815  1
  Fe  Fe5  1  0.44555769  0.94465266  0.77051160  1
  Fe  Fe6  1  0.05444348  0.44466030  0.27051332  1
  Fe  Fe7  1  0.55444160  0.05534769  0.22948711  1
  Ni  Ni8  1  0.00000047  1.00000028  0.99999969  1
  Ni  Ni9  1  0.50000070  0.49999969  0.50000030  1
  H  H10  1  0.18863374  0.19065735  0.08805249  1
  H  H11  1  0.68863221  0.30934349  0.41194582  1
  H  H12  1  0.81136609  0.80934314  0.91194627  1
  H  H13  1  0.31136872  0.69065712  0.58805571  1
  H  H14  1  0.27562384  0.09402541  0.98980241  1
  H  H15  1  0.77562425  0.40597332  0.51019556  1
  H  H16  1  0.72437646  0.90597399  0.01019666  1
  H  H17  1  0.22437716  0.59402735  0.48980602  1
  H  H18  1  0.58679582  0.38384323  0.87041833  1
  H  H19  1  0.08679845  0.11615202  0.62958355  1
  H  H20  1  0.41320355  0.61615923  0.12958308  1
  H  H21  1  0.91320042  0.88384696  0.37041474  1
  H  H22  1  0.47984130  0.17016435  0.88631746  1
  H  H23  1  -0.02016093  0.32982783  0.61368518  1
  H  H24  1  0.52015629  0.82983931  0.11368198  1
  H  H25  1  1.02016022  0.67016944  0.38631546  1
  H  H26  1  0.76558167  0.02881625  0.85218452  1
  H  H27  1  0.26558419  0.47118127  0.64781922  1
  H  H28  1  0.23441430  0.97118620  0.14781656  1
  H  H29  1  0.73441801  0.52881612  0.35218252  1
  H  H30  1  0.91750468  0.09277331  0.80082604  1
  H  H31  1  0.41750734  0.40722378  0.69917687  1
  H  H32  1  0.08249211  0.90722594  0.19917375  1
  H  H33  1  0.58249443  0.59277167  0.30082321  1
  H  H34  1  0.20862529  0.32907431  0.97073124  1
  H  H35  1  0.70862534  0.17092420  0.52926551  1
  H  H36  1  0.79137402  0.67092423  0.02926803  1
  H  H37  1  0.29137504  0.82907686  0.47073478  1
  H  H38  1  0.17046434  0.18068070  0.87296797  1
  H  H39  1  0.67046465  0.31931598  0.62703038  1
  H  H40  1  0.82954481  0.81931590  0.12703128  1
  H  H41  1  0.32954213  0.68068581  0.37297026  1
  H  H42  1  0.58481892  0.36700720  0.04549189  1
  H  H43  1  0.08481870  0.13299012  0.45451031  1
  H  H44  1  0.41518010  0.63299236  0.95450901  1
  H  H45  1  0.91518020  0.86701170  0.54548840  1
  H  H46  1  0.74287732  0.44024071  0.01020203  1
  H  H47  1  0.24287924  0.05975812  0.48979937  1
  H  H48  1  0.25712107  0.55976057  0.98980002  1
  H  H49  1  0.75711921  0.94024195  0.51019822  1
  H  H50  1  0.79802212  0.25966115  0.10425811  1
  H  H51  1  0.29802102  0.24033959  0.39574450  1
  H  H52  1  0.20197728  0.74033794  0.89574220  1
  H  H53  1  0.70197872  0.75966251  0.60425502  1
  H  H54  1  0.69441377  0.13090056  0.02257263  1
  H  H55  1  0.19441180  0.36909796  0.47743078  1
  H  H56  1  0.30558794  0.86909854  0.97742576  1
  H  H57  1  0.80559033  0.63090415  0.52257040  1
  H  H58  1  0.81241026  0.31889679  0.80167620  1
  H  H59  1  0.31241293  0.18110019  0.69832600  1
  H  H60  1  0.18758983  0.68110695  0.19832713  1
  H  H61  1  0.68758841  0.81889218  0.30166839  1
  H  H62  1  0.68894060  0.18384532  0.75003081  1
  H  H63  1  0.18894322  0.31615162  0.74997121  1
  H  H64  1  0.31106083  0.81616307  0.24996790  1
  H  H65  1  0.81106231  0.68383756  0.25003023  1
  H  H66  1  0.96507649  0.42132680  0.10620357  1
  H  H67  1  0.46508134  0.07867802  0.39380109  1
  H  H68  1  0.03491457  0.57867919  0.89380515  1
  H  H69  1  0.53491102  0.92131865  0.60619220  1
  H  H70  1  0.96583607  0.37268430  0.93125382  1
  H  H71  1  0.46583613  0.12731414  0.56874552  1
  H  H72  1  0.03416824  0.62731493  0.06874202  1
  H  H73  1  0.53416744  0.87268537  0.43125541  1
  C  C74  1  0.82918652  0.12379496  0.85367521  1
  C  C75  1  0.32918881  0.37620244  0.64632748  1
  C  C76  1  0.17081119  0.87620613  0.14632504  1
  C  C77  1  0.67081274  0.62379430  0.35367272  1
  C  C78  1  0.14196150  0.23310578  0.95106227  1
  C  C79  1  0.64196180  0.26689248  0.54893582  1
  C  C80  1  0.85803954  0.76689180  0.04893544  1
  C  C81  1  0.35803966  0.73310914  0.45106587  1
  C  C82  1  0.67864540  0.34199137  0.99613363  1
  C  C83  1  0.17864596  0.15800637  0.50386843  1
  C  C84  1  0.32135372  0.65800919  0.00386725  1
  C  C85  1  0.82135308  0.84199419  0.49613034  1
  C  C86  1  0.76148846  0.22416614  0.02666950  1
  C  C87  1  0.26148772  0.27583353  0.47333331  1
  C  C88  1  0.23851195  0.77583450  0.97333053  1
  C  C89  1  0.73851285  0.72416708  0.52666653  1
  C  C90  1  0.74211559  0.23691210  0.82015354  1
  C  C91  1  0.24211805  0.26308444  0.67984855  1
  C  C92  1  0.25788366  0.76309064  0.17984734  1
  C  C93  1  0.75788360  0.73691081  0.32014992  1
  C  C94  1  0.99194531  0.27736522  0.95940246  1
  C  C95  1  0.49194516  0.22263406  0.54059755  1
  C  C96  1  0.00805656  0.72263376  0.04059519  1
  C  C97  1  0.50805699  0.77736563  0.45940208  1
  N  N98  1  0.88467039  0.17605469  0.95825842  1
  N  N99  1  0.38467072  0.32394526  0.54174379  1
  N  N100  1  0.11532962  0.82394727  0.04174121  1
  N  N101  1  0.61533027  0.67605306  0.45825611  1
  N  N102  1  0.17691379  0.13460778  0.01461215  1
  N  N103  1  0.67691355  0.36539183  0.48538654  1
  N  N104  1  0.82308667  0.86539169  0.98538674  1
  N  N105  1  0.32308797  0.63460903  0.51461487  1
  N  N106  1  0.63270873  0.29844565  0.89229461  1
  N  N107  1  0.13271053  0.20155065  0.60770775  1
  N  N108  1  0.36729009  0.70155613  0.10770624  1
  N  N109  1  0.86728902  0.79844863  0.39229117  1
  O  O110  1  0.05696088  0.90177997  0.85267883  1
  O  O111  1  0.55696857  0.59821955  0.64731863  1
  O  O112  1  0.94303911  0.09821927  0.14732071  1
  O  O113  1  0.44303152  0.40178081  0.35268258  1
  O  O114  1  0.01875924  0.97155916  0.66734107  1
  O  O115  1  0.51875331  0.52843242  0.83265163  1
  O  O116  1  0.98124109  0.02844319  0.33265923  1
  O  O117  1  0.48124718  0.47156934  0.16735107  1
  O  O118  1  0.89895273  0.39809303  0.62580252  1
  O  O119  1  0.39895587  0.10189756  0.87419969  1
  O  O120  1  0.10104785  0.60190604  0.37419992  1
  O  O121  1  0.60104285  0.89810467  0.12579783  1
  O  O122  1  0.04680361  0.68758660  0.67157864  1
  O  O123  1  0.54680863  0.81240794  0.82842024  1
  O  O124  1  0.95319094  0.31241517  0.32841967  1
  O  O125  1  0.45318913  0.18759338  0.17158079  1
  O  O126  1  0.27957661  0.84901663  0.70764510  1
  O  O127  1  0.77957715  0.65097296  0.79235955  1
  O  O128  1  0.72042206  0.15098194  0.29235546  1
  O  O129  1  0.22042160  0.34902748  0.20764057  1
  O  O130  1  0.04805707  0.50108414  0.83443126  1
  O  O131  1  0.54805280  0.99891158  0.66556749  1
  O  O132  1  0.95193964  0.49892774  0.16557451  1
  O  O133  1  0.45194279  0.00108106  0.33442785  1
