# generated using pymatgen
data_MnCr2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36006145
_cell_length_b   9.72443529
_cell_length_c   13.67067065
_cell_angle_alpha   103.48022121
_cell_angle_beta   89.99988520
_cell_angle_gamma   90.00012839
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2Ni2H32C12(NO2)6
_chemical_formula_sum   'Mn2 Cr4 Ni4 H64 C24 N12 O24'
_cell_volume   1210.04185556
_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
  Ni  Ni0  1  0.09318106  0.85924422  0.73453277  1
  Ni  Ni1  1  0.59303126  0.64053826  0.76557728  1
  Ni  Ni2  1  0.90704891  0.14056178  0.26570594  1
  Ni  Ni3  1  0.40703027  0.35944041  0.23435916  1
  Cr  Cr4  1  0.94808078  0.55885797  0.72327790  1
  Cr  Cr5  1  0.44811284  0.94111469  0.77670013  1
  Cr  Cr6  1  0.05193092  0.44115353  0.27667770  1
  Cr  Cr7  1  0.55192757  0.05886863  0.22332700  1
  Mn  Mn8  1  0.00005089  0.99997636  1.00011049  1
  Mn  Mn9  1  0.50018172  0.50024525  0.49989328  1
  H  H10  1  0.18570832  0.19547664  0.09107974  1
  H  H11  1  0.68565493  0.30458798  0.40894452  1
  H  H12  1  0.81439314  0.80465512  0.90904168  1
  H  H13  1  0.31436718  0.69539652  0.59097963  1
  H  H14  1  0.27112333  0.09596404  0.99126703  1
  H  H15  1  0.77109538  0.40405166  0.50876610  1
  H  H16  1  0.72896544  0.90405325  0.00888648  1
  H  H17  1  0.22893871  0.59595017  0.49113631  1
  H  H18  1  0.53053952  0.46715316  0.87978648  1
  H  H19  1  0.03087393  0.03321278  0.62009605  1
  H  H20  1  0.46950824  0.53290112  0.12015240  1
  H  H21  1  0.96948216  0.96711838  0.37972744  1
  H  H22  1  0.54127314  0.22443268  0.89374673  1
  H  H23  1  0.04125983  0.27550435  0.60627479  1
  H  H24  1  0.45877604  0.77556691  0.10622549  1
  H  H25  1  0.95867958  0.72439537  0.39378910  1
  H  H26  1  0.77199454  0.03737996  0.84925749  1
  H  H27  1  0.27191976  0.46256481  0.65074531  1
  H  H28  1  0.22816243  0.96258487  0.15072107  1
  H  H29  1  0.72805987  0.53728683  0.34920670  1
  H  H30  1  0.92138049  0.11415098  0.80437307  1
  H  H31  1  0.42128604  0.38579099  0.69565593  1
  H  H32  1  0.07873216  0.88582695  0.19563768  1
  H  H33  1  0.57861399  0.61401147  0.30425066  1
  H  H34  1  0.21541730  0.32804695  0.96619008  1
  H  H35  1  0.71538114  0.17192583  0.53375218  1
  H  H36  1  0.78459294  0.67173826  0.03374769  1
  H  H37  1  0.28457720  0.82825261  0.46621609  1
  H  H38  1  0.15149998  0.18055468  0.87490192  1
  H  H39  1  0.65152451  0.31936161  0.62510482  1
  H  H40  1  0.84842503  0.81909672  0.12515512  1
  H  H41  1  0.34842278  0.68084623  0.37484602  1
  H  H42  1  0.57888981  0.39073181  0.06793450  1
  H  H43  1  0.07906431  0.10928857  0.43218865  1
  H  H44  1  0.42113903  0.60928346  0.93200288  1
  H  H45  1  0.92154758  0.89095518  0.56850152  1
  H  H46  1  0.74317927  0.43721360  0.00443106  1
  H  H47  1  0.24320228  0.06279848  0.49558728  1
  H  H48  1  0.25682941  0.56282911  0.99552534  1
  H  H49  1  0.75665352  0.93717014  0.50437694  1
  H  H50  1  0.79734016  0.26111978  0.10544172  1
  H  H51  1  0.29734909  0.23887354  0.39456407  1
  H  H52  1  0.20265900  0.73866084  0.89452073  1
  H  H53  1  0.70266910  0.76129475  0.60544599  1
  H  H54  1  0.69033737  0.13320965  0.02481937  1
  H  H55  1  0.19034228  0.36677408  0.47518214  1
  H  H56  1  0.30952728  0.86683414  0.97507306  1
  H  H57  1  0.80956006  0.63313747  0.52479473  1
  H  H58  1  0.79620976  0.33718125  0.81499985  1
  H  H59  1  0.29620021  0.16276959  0.68501191  1
  H  H60  1  0.20381382  0.66276949  0.18494603  1
  H  H61  1  0.70381863  0.83713985  0.31500192  1
  H  H62  1  0.68727816  0.19480652  0.75212155  1
  H  H63  1  0.18724432  0.30513132  0.74785451  1
  H  H64  1  0.31277048  0.80509233  0.24783809  1
  H  H65  1  0.81269711  0.69487810  0.25210093  1
  H  H66  1  0.98260177  0.35793236  0.05242925  1
  H  H67  1  0.48259983  0.14204597  0.44758491  1
  H  H68  1  0.01739883  0.64196463  0.94759809  1
  H  H69  1  0.51749286  0.85791069  0.55238379  1
  H  H70  1  0.96809083  0.36706605  0.92275171  1
  H  H71  1  0.46811970  0.13289843  0.57726806  1
  H  H72  1  0.03205038  0.63290027  0.07728050  1
  H  H73  1  0.53213758  0.86705894  0.42274248  1
  C  C74  1  0.83090430  0.13669121  0.85600583  1
  C  C75  1  0.33083680  0.36325092  0.64399397  1
  C  C76  1  0.16918786  0.86329085  0.14397566  1
  C  C77  1  0.66907227  0.63657350  0.35593659  1
  C  C78  1  0.13986527  0.23905280  0.95330669  1
  C  C79  1  0.63984526  0.26093754  0.54669266  1
  C  C80  1  0.86012309  0.76076357  0.04673839  1
  C  C81  1  0.36010706  0.73922352  0.45325391  1
  C  C82  1  0.67679784  0.34237438  0.99794581  1
  C  C83  1  0.17677286  0.15758840  0.50203548  1
  C  C84  1  0.32322302  0.65765533  0.00203059  1
  C  C85  1  0.82312273  0.84235863  0.49795468  1
  C  C86  1  0.75930982  0.22550673  0.02828884  1
  C  C87  1  0.25930253  0.27446990  0.47171933  1
  C  C88  1  0.24067822  0.77447762  0.97167130  1
  C  C89  1  0.74068958  0.72549627  0.52828884  1
  C  C90  1  0.73346012  0.24586860  0.82505263  1
  C  C91  1  0.23341178  0.25403916  0.67492575  1
  C  C92  1  0.26658669  0.75407140  0.17490513  1
  C  C93  1  0.76650224  0.74580093  0.32504505  1
  C  C94  1  0.98961351  0.29699300  0.97394659  1
  C  C95  1  0.48959623  0.20298299  0.52607017  1
  C  C96  1  0.01040006  0.70291766  0.02608039  1
  C  C97  1  0.51042248  0.79700385  0.47389969  1
  N  N98  1  0.88242407  0.18158605  0.96063657  1
  N  N99  1  0.38238686  0.31835795  0.53938520  1
  N  N100  1  0.11755132  0.81838748  0.03934431  1
  N  N101  1  0.61753777  0.68149985  0.46060369  1
  N  N102  1  0.17503750  0.14113644  0.01719965  1
  N  N103  1  0.67500160  0.35890221  0.48283192  1
  N  N104  1  0.82503683  0.85882660  0.98296213  1
  N  N105  1  0.32499671  0.64120609  0.51706044  1
  N  N106  1  0.62004548  0.29954777  0.89810313  1
  N  N107  1  0.12000972  0.20036559  0.60187537  1
  N  N108  1  0.38000099  0.70044532  0.10185188  1
  N  N109  1  0.87988967  0.79949208  0.39815057  1
  O  O110  1  0.04912412  0.92976594  0.86981608  1
  O  O111  1  0.54939817  0.57066378  0.63010960  1
  O  O112  1  0.94982905  0.07211515  0.13006801  1
  O  O113  1  0.44996394  0.42811617  0.36993617  1
  O  O114  1  -0.00716076  0.94365560  0.63263667  1
  O  O115  1  0.49269506  0.55685251  0.86754196  1
  O  O116  1  1.00713067  0.05700285  0.36770865  1
  O  O117  1  0.50717455  0.44310405  0.13235352  1
  O  O118  1  0.89947504  0.42058729  0.63475521  1
  O  O119  1  0.39951411  0.07936281  0.86524791  1
  O  O120  1  0.10044203  0.57941488  0.36524886  1
  O  O121  1  0.60050687  0.92063552  0.13475621  1
  O  O122  1  0.05477626  0.66142187  0.66993209  1
  O  O123  1  0.55479069  0.83857534  0.83002963  1
  O  O124  1  0.94528223  0.33850860  0.32998810  1
  O  O125  1  0.44527332  0.16151046  0.17001189  1
  O  O126  1  0.30368429  0.84748770  0.72218683  1
  O  O127  1  0.80368636  0.65249343  0.77778115  1
  O  O128  1  0.69632903  0.15239332  0.27785847  1
  O  O129  1  0.19637755  0.34765176  0.22217423  1
  O  O130  1  0.03777440  0.50396900  0.80981509  1
  O  O131  1  0.53778506  0.99604513  0.69017452  1
  O  O132  1  0.96220334  0.49605874  0.19016761  1
  O  O133  1  0.46216970  0.00391269  0.30980516  1
