# generated using pymatgen
data_Mn3Fe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36073527
_cell_length_b   9.71736623
_cell_length_c   13.65741687
_cell_angle_alpha   103.42469314
_cell_angle_beta   90.00000901
_cell_angle_gamma   90.00012033
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Fe2H32C12(NO2)6
_chemical_formula_sum   'Mn6 Fe4 H64 C24 N12 O24'
_cell_volume   1208.35699231
_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  0.09404443  0.86457992  0.73226743  1
  Mn  Mn1  1  0.59404668  0.63541417  0.76773268  1
  Mn  Mn2  1  0.90595330  0.13542093  0.26773203  1
  Mn  Mn3  1  0.40595201  0.36458749  0.23226889  1
  Fe  Fe4  1  0.94697671  0.55702753  0.73061067  1
  Fe  Fe5  1  0.44697712  0.94296507  0.76938998  1
  Fe  Fe6  1  0.05302196  0.44297413  0.26939130  1
  Fe  Fe7  1  0.55302087  0.05703519  0.23060829  1
  Mn  Mn8  1  -0.00000075  1.00000007  0.99999957  1
  Mn  Mn9  1  0.49999946  0.49999972  0.50000093  1
  H  H10  1  0.19314181  0.19612425  0.08808531  1
  H  H11  1  0.69313791  0.30387636  0.41191210  1
  H  H12  1  0.80685826  0.80387548  0.91191387  1
  H  H13  1  0.30686377  0.69612460  0.58808892  1
  H  H14  1  0.27653636  0.09944722  0.98739707  1
  H  H15  1  0.77653500  0.40055256  0.51259911  1
  H  H16  1  0.72346303  0.90055204  0.01260265  1
  H  H17  1  0.22346500  0.59944921  0.48740205  1
  H  H18  1  0.58125062  0.38667652  0.86884050  1
  H  H19  1  0.08125267  0.11331823  0.63116088  1
  H  H20  1  0.41874928  0.61332534  0.13116017  1
  H  H21  1  0.91874717  0.88668060  0.36883765  1
  H  H22  1  0.48037407  0.16815082  0.88781530  1
  H  H23  1  -0.01962853  0.33184144  0.61218651  1
  H  H24  1  0.51962517  0.83185044  0.11218009  1
  H  H25  1  1.01962949  0.66815929  0.38781923  1
  H  H26  1  0.76526989  0.03485275  0.85167149  1
  H  H27  1  0.26527091  0.46514437  0.64833114  1
  H  H28  1  0.23472902  0.96515004  0.14832683  1
  H  H29  1  0.73472858  0.53485142  0.35167152  1
  H  H30  1  0.91663908  0.10080937  0.80041363  1
  H  H31  1  0.41664083  0.39918763  0.69958842  1
  H  H32  1  0.08336098  0.89919263  0.19958565  1
  H  H33  1  0.58336088  0.60080901  0.30041228  1
  H  H34  1  0.20782236  0.33305379  0.96968401  1
  H  H35  1  0.70782283  0.16694560  0.53031192  1
  H  H36  1  0.79217824  0.66694468  0.03031385  1
  H  H37  1  0.29217885  0.83305534  0.46968875  1
  H  H38  1  0.16594639  0.18435165  0.87248212  1
  H  H39  1  0.66594974  0.31564606  0.62751546  1
  H  H40  1  0.83405222  0.81564618  0.12751707  1
  H  H41  1  0.33405031  0.68435446  0.37248507  1
  H  H42  1  0.57917372  0.37019655  0.04448466  1
  H  H43  1  0.07917343  0.12980100  0.45551756  1
  H  H44  1  0.42082577  0.62980306  0.95551553  1
  H  H45  1  0.92082606  0.87020169  0.54448185  1
  H  H46  1  0.73664742  0.44461700  0.00936401  1
  H  H47  1  0.23664799  0.05538074  0.49063686  1
  H  H48  1  0.26335221  0.55538320  0.99063716  1
  H  H49  1  0.76335089  0.94461929  0.50936079  1
  H  H50  1  0.79414022  0.26581134  0.10354908  1
  H  H51  1  0.29413842  0.23418876  0.39645291  1
  H  H52  1  0.20585968  0.73418752  0.89645065  1
  H  H53  1  0.70586272  0.76581339  0.60354719  1
  H  H54  1  0.69335798  0.13504495  0.02126927  1
  H  H55  1  0.19335662  0.36495328  0.47873409  1
  H  H56  1  0.30664238  0.86495418  0.97872974  1
  H  H57  1  0.80664508  0.63504853  0.52126680  1
  H  H58  1  0.80709069  0.32496674  0.80059196  1
  H  H59  1  0.30709233  0.17503010  0.69940993  1
  H  H60  1  0.19291128  0.67503864  0.19941070  1
  H  H61  1  0.69291202  0.82496023  0.30058409  1
  H  H62  1  0.68606444  0.18783753  0.74860766  1
  H  H63  1  0.18606568  0.31215840  0.75139415  1
  H  H64  1  0.31393866  0.81216902  0.25139148  1
  H  H65  1  0.81394135  0.68783054  0.24860703  1
  H  H66  1  0.96731293  0.41524053  0.10249773  1
  H  H67  1  0.46731273  0.08476311  0.39750228  1
  H  H68  1  0.03268686  0.58476255  0.89750426  1
  H  H69  1  0.53268573  0.91523425  0.60249609  1
  H  H70  1  0.96865891  0.37881912  0.92902613  1
  H  H71  1  0.46866106  0.12118073  0.57097571  1
  H  H72  1  0.03134089  0.62118301  0.07097592  1
  H  H73  1  0.53133995  0.87881702  0.42902172  1
  C  C74  1  0.82722519  0.13077102  0.85275397  1
  C  C75  1  0.32722617  0.36922607  0.64724796  1
  C  C76  1  0.17277494  0.86923138  0.14724526  1
  C  C77  1  0.67277531  0.63077035  0.35275301  1
  C  C78  1  0.14058530  0.23773546  0.95101553  1
  C  C79  1  0.64058596  0.26226354  0.54898241  1
  C  C80  1  0.85941443  0.76226368  0.04898344  1
  C  C81  1  0.35941499  0.73773686  0.45101813  1
  C  C82  1  0.67306633  0.34602732  0.99514596  1
  C  C83  1  0.17306675  0.15397011  0.50485581  1
  C  C84  1  0.32693326  0.65397288  0.00485432  1
  C  C85  1  0.82693316  0.84603060  0.49514330  1
  C  C86  1  0.75827719  0.22986501  0.02566385  1
  C  C87  1  0.25827660  0.27013371  0.47433843  1
  C  C88  1  0.24172257  0.77013468  0.97433581  1
  C  C89  1  0.74172431  0.72986725  0.52566170  1
  C  C90  1  0.73809881  0.24204743  0.81892399  1
  C  C91  1  0.23810003  0.25794892  0.68107780  1
  C  C92  1  0.26190257  0.75795677  0.18107634  1
  C  C93  1  0.76190359  0.74204437  0.31892113  1
  C  C94  1  0.99074207  0.28409716  0.95913478  1
  C  C95  1  0.49074243  0.21590224  0.54086593  1
  C  C96  1  0.00925817  0.71590367  0.04086585  1
  C  C97  1  0.50925889  0.78409666  0.45913288  1
  N  N98  1  0.88087252  0.18535402  0.95694518  1
  N  N99  1  0.38087261  0.31464483  0.54305661  1
  N  N100  1  0.11912746  0.81464647  0.04305447  1
  N  N101  1  0.61912840  0.68535479  0.45694386  1
  N  N102  1  0.17805837  0.13959009  0.01477900  1
  N  N103  1  0.67805648  0.36040976  0.48521882  1
  N  N104  1  0.82194128  0.86040948  0.98522032  1
  N  N105  1  0.32194424  0.63959119  0.51478204  1
  N  N106  1  0.62802682  0.30180649  0.89107048  1
  N  N107  1  0.12802794  0.19818943  0.60893138  1
  N  N108  1  0.37197340  0.69819494  0.10892959  1
  N  N109  1  0.87197312  0.80180967  0.39106807  1
  O  O110  1  0.05485080  0.90711691  0.86004625  1
  O  O111  1  0.55485774  0.59288142  0.63995291  1
  O  O112  1  0.94514687  0.09288269  0.13995305  1
  O  O113  1  0.44514105  0.40711921  0.36004873  1
  O  O114  1  0.01346363  0.97655751  0.67314883  1
  O  O115  1  0.51346186  0.52343576  0.82684835  1
  O  O116  1  0.98653581  0.02344564  0.32685189  1
  O  O117  1  0.48653828  0.47656470  0.17315273  1
  O  O118  1  0.90238057  0.40335698  0.62304536  1
  O  O119  1  0.40238383  0.09663424  0.87695702  1
  O  O120  1  0.09761701  0.59664010  0.37696032  1
  O  O121  1  0.59761295  0.90336977  0.12303803  1
  O  O122  1  0.04784634  0.69051316  0.67469574  1
  O  O123  1  0.54784982  0.80948104  0.82530427  1
  O  O124  1  0.95214631  0.30948911  0.32530332  1
  O  O125  1  0.45214388  0.19051953  0.17469678  1
  O  O126  1  0.27752472  0.85182568  0.70888693  1
  O  O127  1  0.77752586  0.64816505  0.79111729  1
  O  O128  1  0.72247337  0.14817277  0.29111300  1
  O  O129  1  0.22247300  0.35183771  0.20888399  1
  O  O130  1  0.04775169  0.50733591  0.83789477  1
  O  O131  1  0.54774955  0.99266025  0.66210627  1
  O  O132  1  0.95224822  0.49266757  0.16210693  1
  O  O133  1  0.45224941  0.00733768  0.33789181  1
