# generated using pymatgen
data_Mn2Fe3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35913633
_cell_length_b   9.71202978
_cell_length_c   13.65363652
_cell_angle_alpha   103.40843844
_cell_angle_beta   90.00000866
_cell_angle_gamma   90.00012151
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Fe3H32C12(NO2)6
_chemical_formula_sum   'Mn4 Fe6 H64 C24 N12 O24'
_cell_volume   1207.23457691
_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  0.09320200  0.86670162  0.73332878  1
  Mn  Mn1  1  0.59320235  0.63329307  0.76667196  1
  Mn  Mn2  1  0.90678703  0.13330408  0.26665567  1
  Mn  Mn3  1  0.40678379  0.36670285  0.23334581  1
  Fe  Fe4  1  0.94701029  0.55735223  0.73061043  1
  Fe  Fe5  1  0.44701089  0.94264152  0.76939116  1
  Fe  Fe6  1  0.05298934  0.44264705  0.26938702  1
  Fe  Fe7  1  0.55298842  0.05735982  0.23061106  1
  Fe  Fe8  1  0.00003188  0.99996820  1.00001436  1
  Fe  Fe9  1  0.50003820  0.50003079  0.49998468  1
  H  H10  1  0.19537321  0.19622420  0.08913028  1
  H  H11  1  0.69537084  0.30377474  0.41086684  1
  H  H12  1  0.80463318  0.80376802  0.91086898  1
  H  H13  1  0.30463860  0.69623348  0.58913427  1
  H  H14  1  0.27923587  0.09937724  0.98858000  1
  H  H15  1  0.77923726  0.40062033  0.51141629  1
  H  H16  1  0.72077869  0.90062038  0.01142093  1
  H  H17  1  0.22078180  0.59938028  0.48858359  1
  H  H18  1  0.58423137  0.38544826  0.86945058  1
  H  H19  1  0.08423351  0.11454649  0.63055012  1
  H  H20  1  0.41576560  0.61455184  0.13055080  1
  H  H21  1  0.91576319  0.88545472  0.36944864  1
  H  H22  1  0.48156383  0.16786586  0.88827026  1
  H  H23  1  -0.01843732  0.33212699  0.61173326  1
  H  H24  1  0.51843481  0.83213789  0.11172973  1
  H  H25  1  1.01843827  0.66787026  0.38826607  1
  H  H26  1  0.76545972  0.03190272  0.85077164  1
  H  H27  1  0.26546046  0.46809331  0.64923025  1
  H  H28  1  0.23454302  0.96810134  0.14923159  1
  H  H29  1  0.73454417  0.53190045  0.35076692  1
  H  H30  1  0.91800305  0.09788637  0.80048276  1
  H  H31  1  0.41800586  0.40210961  0.69951754  1
  H  H32  1  0.08199718  0.90210867  0.19951770  1
  H  H33  1  0.58199726  0.59789306  0.30048104  1
  H  H34  1  0.20790013  0.33204035  0.96978234  1
  H  H35  1  0.70789914  0.16795841  0.53021458  1
  H  H36  1  0.79210430  0.66794900  0.03021954  1
  H  H37  1  0.29210596  0.83205082  0.46978165  1
  H  H38  1  0.16639855  0.18245895  0.87309392  1
  H  H39  1  0.66639913  0.31753955  0.62690379  1
  H  H40  1  0.83360730  0.81753279  0.12690595  1
  H  H41  1  0.33360773  0.68246619  0.37309603  1
  H  H42  1  0.58194933  0.36882696  0.04527907  1
  H  H43  1  0.08194999  0.13116885  0.45472113  1
  H  H44  1  0.41804974  0.63116805  0.95471762  1
  H  H45  1  0.91804962  0.86883694  0.54527995  1
  H  H46  1  0.74024806  0.44211183  0.01039203  1
  H  H47  1  0.24025009  0.05788688  0.48960952  1
  H  H48  1  0.25974855  0.55788989  0.98960847  1
  H  H49  1  0.75974655  0.94211185  0.51038914  1
  H  H50  1  0.79496251  0.26307353  0.10438543  1
  H  H51  1  0.29496137  0.23692697  0.39561618  1
  H  H52  1  0.20503807  0.73692287  0.89561300  1
  H  H53  1  0.70504025  0.76307772  0.60438535  1
  H  H54  1  0.69224693  0.13304751  0.02262991  1
  H  H55  1  0.19224487  0.36695028  0.47737202  1
  H  H56  1  0.30776030  0.86695088  0.97736500  1
  H  H57  1  0.80776402  0.63305195  0.52263290  1
  H  H58  1  0.81045686  0.32318375  0.80181802  1
  H  H59  1  0.31045879  0.17681257  0.69818341  1
  H  H60  1  0.18954489  0.67682122  0.19818610  1
  H  H61  1  0.68954502  0.82317795  0.30180889  1
  H  H62  1  0.68872051  0.18712815  0.74923692  1
  H  H63  1  0.18872294  0.31286801  0.75076392  1
  H  H64  1  0.31128241  0.81287747  0.25076197  1
  H  H65  1  0.81128340  0.68712257  0.24923656  1
  H  H66  1  0.96844671  0.41368185  0.10179165  1
  H  H67  1  0.46844605  0.08632785  0.39821687  1
  H  H68  1  0.03155206  0.58633602  0.89822683  1
  H  H69  1  0.53155163  0.91366068  0.60176938  1
  H  H70  1  0.96663640  0.37400507  0.92999623  1
  H  H71  1  0.46663986  0.12599534  0.57000540  1
  H  H72  1  0.03337223  0.62599763  0.07000557  1
  H  H73  1  0.53337079  0.87400068  0.42999072  1
  C  C74  1  0.82844166  0.12751723  0.85298202  1
  C  C75  1  0.32844292  0.37247909  0.64701957  1
  C  C76  1  0.17156145  0.87248523  0.14701992  1
  C  C77  1  0.67156238  0.62751622  0.35297834  1
  C  C78  1  0.14164217  0.23591850  0.95174996  1
  C  C79  1  0.64164286  0.26408096  0.54824782  1
  C  C80  1  0.85836162  0.76407149  0.04825065  1
  C  C81  1  0.35836290  0.73592818  0.45175093  1
  C  C82  1  0.67578474  0.34397273  0.99584503  1
  C  C83  1  0.17578535  0.15602466  0.50415636  1
  C  C84  1  0.32421650  0.65602579  0.00415443  1
  C  C85  1  0.82421593  0.84397739  0.49584352  1
  C  C86  1  0.75885777  0.22668511  0.02659636  1
  C  C87  1  0.25885714  0.27331375  0.47340545  1
  C  C88  1  0.24114965  0.77331375  0.97340138  1
  C  C89  1  0.74115172  0.72668780  0.52659681  1
  C  C90  1  0.74091144  0.24036990  0.81981833  1
  C  C91  1  0.24091339  0.25962571  0.68018277  1
  C  C92  1  0.25909052  0.75963237  0.18018249  1
  C  C93  1  0.75909074  0.74036920  0.31981502  1
  C  C94  1  0.99138121  0.28012421  0.96037520  1
  C  C95  1  0.49138187  0.21987579  0.53962434  1
  C  C96  1  0.00862192  0.71986919  0.03962120  1
  C  C97  1  0.50862312  0.78013059  0.46037798  1
  N  N98  1  0.88263323  0.17880196  0.95820149  1
  N  N99  1  0.38263346  0.32119671  0.54179939  1
  N  N100  1  0.11737642  0.82119861  0.04179921  1
  N  N101  1  0.61737876  0.67880199  0.45819926  1
  N  N102  1  0.18052248  0.13881067  0.01602109  1
  N  N103  1  0.68052325  0.36118821  0.48397648  1
  N  N104  1  0.81948876  0.86117354  0.98397937  1
  N  N105  1  0.31949238  0.63882727  0.51602362  1
  N  N106  1  0.63067806  0.30041743  0.89174737  1
  N  N107  1  0.13067953  0.19957816  0.60825410  1
  N  N108  1  0.36932143  0.69958140  0.10825288  1
  N  N109  1  0.86932025  0.80042311  0.39174494  1
  O  O110  1  0.05306943  0.91106832  0.86274651  1
  O  O111  1  0.55306592  0.58893114  0.63725383  1
  O  O112  1  0.94683484  0.08900053  0.13722811  1
  O  O113  1  0.44681769  0.41100233  0.36277482  1
  O  O114  1  0.01382884  0.98071024  0.67528968  1
  O  O115  1  0.51382836  0.51928139  0.82470786  1
  O  O116  1  0.98616733  0.01928978  0.32469370  1
  O  O117  1  0.48616726  0.48072489  0.17531567  1
  O  O118  1  0.90342214  0.40351453  0.62282340  1
  O  O119  1  0.40342434  0.09647702  0.87717917  1
  O  O120  1  0.09658034  0.59648475  0.37717746  1
  O  O121  1  0.59657520  0.90352569  0.12281911  1
  O  O122  1  0.04668097  0.69256072  0.67547151  1
  O  O123  1  0.54668514  0.80743419  0.82452902  1
  O  O124  1  0.95331262  0.30744086  0.32452469  1
  O  O125  1  0.45331192  0.19256856  0.17547550  1
  O  O126  1  0.27668253  0.85187943  0.70992092  1
  O  O127  1  0.77668257  0.64811258  0.79008263  1
  O  O128  1  0.72330901  0.14812347  0.29009532  1
  O  O129  1  0.22330718  0.35188304  0.20989845  1
  O  O130  1  0.04744455  0.50911486  0.83854416  1
  O  O131  1  0.54743974  0.99087865  0.66145526  1
  O  O132  1  0.95254548  0.49090935  0.16146687  1
  O  O133  1  0.45255117  0.00910447  0.33853675  1
