# generated using pymatgen
data_Mn3Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35275064
_cell_length_b   9.71294709
_cell_length_c   13.65824766
_cell_angle_alpha   103.45339207
_cell_angle_beta   90.00002154
_cell_angle_gamma   90.00014967
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Ni2H32C12(NO2)6
_chemical_formula_sum   'Mn6 Ni4 H64 C24 N12 O24'
_cell_volume   1206.70619142
_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  0.09519060  0.85729406  0.73431935  1
  Ni  Ni1  1  0.59519004  0.64270174  0.76569445  1
  Ni  Ni2  1  0.90485040  0.14277677  0.26570155  1
  Ni  Ni3  1  0.40486379  0.35725251  0.23431151  1
  Mn  Mn4  1  0.94986889  0.55977584  0.72407208  1
  Mn  Mn5  1  0.44987134  0.94022308  0.77593804  1
  Mn  Mn6  1  0.05012823  0.44024557  0.27592043  1
  Mn  Mn7  1  0.55012836  0.05977480  0.22408226  1
  Mn  Mn8  1  0.00004910  0.99994001  1.00004686  1
  Mn  Mn9  1  0.50011400  0.50017071  0.49994901  1
  H  H10  1  0.18743051  0.19581392  0.09194038  1
  H  H11  1  0.68736401  0.30421420  0.40807308  1
  H  H12  1  0.81264831  0.80414715  0.90812325  1
  H  H13  1  0.31260044  0.69588238  0.59189521  1
  H  H14  1  0.27336425  0.09643404  0.99236316  1
  H  H15  1  0.77333344  0.40356669  0.50764755  1
  H  H16  1  0.72672628  0.90351844  0.00770742  1
  H  H17  1  0.22669833  0.59648494  0.49231601  1
  H  H18  1  0.52656607  0.46583025  0.87501414  1
  H  H19  1  0.02661109  0.03418247  0.62493465  1
  H  H20  1  0.47344636  0.53417961  0.12505911  1
  H  H21  1  0.97343313  0.96582994  0.37494487  1
  H  H22  1  0.54115590  0.22082434  0.89071458  1
  H  H23  1  0.04115457  0.27915832  0.60928677  1
  H  H24  1  0.45880786  0.77916452  0.10928182  1
  H  H25  1  0.95882031  0.72085467  0.39072320  1
  H  H26  1  0.77502362  0.03586319  0.85011087  1
  H  H27  1  0.27502632  0.46412383  0.64988854  1
  H  H28  1  0.22499077  0.96420083  0.14986667  1
  H  H29  1  0.72500500  0.53579568  0.35012179  1
  H  H30  1  0.92523611  0.11277067  0.80624928  1
  H  H31  1  0.42523734  0.38721931  0.69374951  1
  H  H32  1  0.07472395  0.88733646  0.19370835  1
  H  H33  1  0.57473461  0.61265888  0.30627538  1
  H  H34  1  0.21689826  0.32701035  0.96583827  1
  H  H35  1  0.71688911  0.17295830  0.53410936  1
  H  H36  1  0.78319302  0.67277173  0.03409417  1
  H  H37  1  0.28318409  0.82719450  0.46585590  1
  H  H38  1  0.15221822  0.17900972  0.87537424  1
  H  H39  1  0.65224516  0.32091170  0.62463266  1
  H  H40  1  0.84772507  0.82070061  0.12467333  1
  H  H41  1  0.34774645  0.67921798  0.37533338  1
  H  H42  1  0.57775400  0.38842612  0.06755392  1
  H  H43  1  0.07775670  0.11157512  0.43245239  1
  H  H44  1  0.42225153  0.61157623  0.93243629  1
  H  H45  1  0.92222103  0.88842802  0.56758427  1
  H  H46  1  0.74225298  0.43428252  0.00327573  1
  H  H47  1  0.24225363  0.06570814  0.49672806  1
  H  H48  1  0.25771758  0.56574395  0.99671332  1
  H  H49  1  0.75772012  0.93423807  0.50327862  1
  H  H50  1  0.79576009  0.26076689  0.10595014  1
  H  H51  1  0.29576963  0.23922079  0.39405598  1
  H  H52  1  0.20425538  0.73913095  0.89402065  1
  H  H53  1  0.70426144  0.76085150  0.60597633  1
  H  H54  1  0.69104535  0.13078402  0.02521582  1
  H  H55  1  0.19105761  0.36920904  0.47478645  1
  H  H56  1  0.30894489  0.86921134  0.97472213  1
  H  H57  1  0.80897237  0.63079567  0.52526632  1
  H  H58  1  0.79854109  0.33530608  0.81494691  1
  H  H59  1  0.29854086  0.16468656  0.68506097  1
  H  H60  1  0.20137790  0.66476688  0.18503221  1
  H  H61  1  0.70138537  0.83523656  0.31496892  1
  H  H62  1  0.69129836  0.19127482  0.75132243  1
  H  H63  1  0.19129507  0.30871546  0.74867997  1
  H  H64  1  0.30861925  0.80875533  0.24867350  1
  H  H65  1  0.80862022  0.69126000  0.25132416  1
  H  H66  1  0.98432396  0.35738051  0.05465887  1
  H  H67  1  0.48431695  0.14260644  0.44534460  1
  H  H68  1  0.01573641  0.64257546  0.94536859  1
  H  H69  1  0.51573907  0.85740014  0.55462926  1
  H  H70  1  0.96931660  0.36761901  0.92477073  1
  H  H71  1  0.46931557  0.13235471  0.57523220  1
  H  H72  1  0.03085246  0.63237708  0.07525601  1
  H  H73  1  0.53084795  0.86759494  0.42474218  1
  C  C74  1  0.83360833  0.13536039  0.85687210  1
  C  C75  1  0.33360997  0.36462701  0.64312812  1
  C  C76  1  0.16637540  0.86471534  0.14309582  1
  C  C77  1  0.66638779  0.63527839  0.35688966  1
  C  C78  1  0.14100523  0.23823164  0.95369932  1
  C  C79  1  0.64099690  0.26173903  0.54629786  1
  C  C80  1  0.85902681  0.76160531  0.04632220  1
  C  C81  1  0.35901857  0.73836418  0.45367479  1
  C  C82  1  0.67523515  0.33988333  0.99695489  1
  C  C83  1  0.17524232  0.16010971  0.50304267  1
  C  C84  1  0.32470262  0.66017024  0.00308606  1
  C  C85  1  0.82467800  0.83979851  0.49689018  1
  C  C86  1  0.75888483  0.22391235  0.02863037  1
  C  C87  1  0.25889708  0.27608245  0.47137368  1
  C  C88  1  0.24109955  0.77610771  0.97134982  1
  C  C89  1  0.74111130  0.72388539  0.52864834  1
  C  C90  1  0.73583583  0.24357951  0.82462251  1
  C  C91  1  0.23583365  0.25640996  0.67538030  1
  C  C92  1  0.26412005  0.75646967  0.17536716  1
  C  C93  1  0.76413484  0.74354075  0.32463452  1
  C  C94  1  0.99092820  0.29702386  0.97566190  1
  C  C95  1  0.49091752  0.20295767  0.52434505  1
  C  C96  1  0.00914058  0.70293517  0.02436372  1
  C  C97  1  0.50913104  0.79704102  0.47563577  1
  N  N98  1  0.88331612  0.18157305  0.96185394  1
  N  N99  1  0.38332120  0.31841404  0.53815079  1
  N  N100  1  0.11665421  0.81846515  0.03812068  1
  N  N101  1  0.61666947  0.68152396  0.46186904  1
  N  N102  1  0.17672341  0.14081037  0.01795691  1
  N  N103  1  0.67668754  0.35920698  0.48206703  1
  N  N104  1  0.82334736  0.85909128  0.98212227  1
  N  N105  1  0.32331449  0.64092578  0.51790343  1
  N  N106  1  0.62060382  0.29631235  0.89651792  1
  N  N107  1  0.12061547  0.20368771  0.60347970  1
  N  N108  1  0.37937530  0.70367083  0.10348991  1
  N  N109  1  0.87939278  0.79634687  0.39650974  1
  O  O110  1  0.05026631  0.93060917  0.87035918  1
  O  O111  1  0.55032824  0.56953373  0.62964557  1
  O  O112  1  0.94937341  0.07018131  0.12955024  1
  O  O113  1  0.44938718  0.42989037  0.37045973  1
  O  O114  1  -0.01363101  0.94467407  0.63572596  1
  O  O115  1  0.48634348  0.55532640  0.86420898  1
  O  O116  1  1.01366594  0.05530970  0.36412787  1
  O  O117  1  0.51369241  0.44471082  0.13588400  1
  O  O118  1  0.90234760  0.42024666  0.63450973  1
  O  O119  1  0.40236944  0.07975224  0.86550608  1
  O  O120  1  0.09764325  0.57977961  0.36547720  1
  O  O121  1  0.59766468  0.92025400  0.13452022  1
  O  O122  1  0.05436467  0.66289327  0.66738178  1
  O  O123  1  0.55436452  0.83708480  0.83262105  1
  O  O124  1  0.94565854  0.33712989  0.33263653  1
  O  O125  1  0.44565858  0.16289452  0.16736962  1
  O  O126  1  0.30410716  0.84479392  0.72201439  1
  O  O127  1  0.80411495  0.65521840  0.77800852  1
  O  O128  1  0.69586655  0.15518410  0.27803153  1
  O  O129  1  0.19588196  0.34484888  0.22198891  1
  O  O130  1  0.04186023  0.51111615  0.81417487  1
  O  O131  1  0.54184760  0.98887705  0.68582801  1
  O  O132  1  0.95813478  0.48891777  0.18583259  1
  O  O133  1  0.45812697  0.01108133  0.31415827  1
