# generated using pymatgen
data_Mn2Cr2NiH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37443152
_cell_length_b   9.72766844
_cell_length_c   13.69099187
_cell_angle_alpha   103.41217457
_cell_angle_beta   90.00000576
_cell_angle_gamma   90.00013955
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Cr2NiH32C12(NO2)6
_chemical_formula_sum   'Mn4 Cr4 Ni2 H64 C24 N12 O24'
_cell_volume   1214.44936206
_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
  Cr  Cr0  1  0.09596421  0.85764847  0.72595468  1
  Cr  Cr1  1  0.59596438  0.64234770  0.77404249  1
  Cr  Cr2  1  0.90403932  0.14235045  0.27404538  1
  Cr  Cr3  1  0.40403398  0.35764962  0.22595441  1
  Mn  Mn4  1  0.95186270  0.54385456  0.72967651  1
  Mn  Mn5  1  0.45186839  0.95614042  0.77031907  1
  Mn  Mn6  1  0.04814684  0.45615488  0.27034573  1
  Mn  Mn7  1  0.54813725  0.04385844  0.22967170  1
  Ni  Ni8  1  0.00000043  0.99999789  0.99999658  1
  Ni  Ni9  1  0.49999858  0.49999879  0.50000008  1
  H  H10  1  0.18648392  0.18860552  0.08686352  1
  H  H11  1  0.68649346  0.31139718  0.41313496  1
  H  H12  1  0.81350348  0.81140027  0.91313355  1
  H  H13  1  0.31350370  0.68859818  0.58686205  1
  H  H14  1  0.27485665  0.09320353  0.98808379  1
  H  H15  1  0.77486007  0.40679142  0.51191504  1
  H  H16  1  0.72513891  0.90677685  0.01194624  1
  H  H17  1  0.22514061  0.59319835  0.48810148  1
  H  H18  1  0.58075417  0.37421780  0.86764570  1
  H  H19  1  0.08076113  0.12577546  0.63235288  1
  H  H20  1  0.41924171  0.62578130  0.13235259  1
  H  H21  1  0.91923485  0.87422437  0.36764694  1
  H  H22  1  0.47941012  0.16404564  0.89741945  1
  H  H23  1  -0.02058550  0.33594515  0.60259075  1
  H  H24  1  0.52058140  0.83595178  0.10258313  1
  H  H25  1  1.02057987  0.66406158  0.39740451  1
  H  H26  1  0.76448332  0.02765908  0.85302471  1
  H  H27  1  0.26449703  0.47232981  0.64697751  1
  H  H28  1  0.23550201  0.97233151  0.14697565  1
  H  H29  1  0.73550380  0.52767335  0.35302372  1
  H  H30  1  0.91688315  0.09201142  0.80177816  1
  H  H31  1  0.41689627  0.40797608  0.69821312  1
  H  H32  1  0.08310120  0.90797655  0.19820792  1
  H  H33  1  0.58310185  0.59202165  0.30178980  1
  H  H34  1  0.20768488  0.32633333  0.96864574  1
  H  H35  1  0.70768436  0.17366306  0.53134815  1
  H  H36  1  0.79231978  0.67366691  0.03134641  1
  H  H37  1  0.29231335  0.82633539  0.46865038  1
  H  H38  1  0.16480573  0.17781278  0.87193954  1
  H  H39  1  0.66478912  0.32217404  0.62805432  1
  H  H40  1  0.83522772  0.82217242  0.12805333  1
  H  H41  1  0.33521916  0.67782699  0.37194365  1
  H  H42  1  0.58496808  0.36676285  0.04290913  1
  H  H43  1  0.08496827  0.13322774  0.45709006  1
  H  H44  1  0.41503503  0.63323043  0.95708927  1
  H  H45  1  0.91503085  0.86677521  0.54291009  1
  H  H46  1  0.74223368  0.43757865  0.00365694  1
  H  H47  1  0.24224340  0.06242272  0.49633894  1
  H  H48  1  0.25775937  0.56242537  0.99633809  1
  H  H49  1  0.75775214  0.93757621  0.50366211  1
  H  H50  1  0.79873878  0.26620215  0.10291731  1
  H  H51  1  0.29872859  0.23380020  0.39707850  1
  H  H52  1  0.20127316  0.73379778  0.89707614  1
  H  H53  1  0.70127094  0.76620046  0.60292260  1
  H  H54  1  0.69407314  0.13301996  0.02583802  1
  H  H55  1  0.19406686  0.36697890  0.47416431  1
  H  H56  1  0.30593693  0.86698040  0.97415872  1
  H  H57  1  0.80593397  0.63302078  0.52583766  1
  H  H58  1  0.81176768  0.31937682  0.80615895  1
  H  H59  1  0.31177521  0.18060954  0.69383703  1
  H  H60  1  0.18822519  0.68061222  0.19383843  1
  H  H61  1  0.68821831  0.81939091  0.30616301  1
  H  H62  1  0.69401705  0.18305965  0.74731446  1
  H  H63  1  0.19403074  0.31693221  0.75268446  1
  H  H64  1  0.30596725  0.81693774  0.25268343  1
  H  H65  1  0.80596239  0.68307046  0.24731544  1
  H  H66  1  0.98050122  0.41860408  0.10020854  1
  H  H67  1  0.48052455  0.08142948  0.39982647  1
  H  H68  1  0.01947380  0.58143757  0.89983341  1
  H  H69  1  0.51946974  0.91857352  0.60015969  1
  H  H70  1  0.96556022  0.37080841  0.93107363  1
  H  H71  1  0.46554612  0.12922264  0.56895586  1
  H  H72  1  0.03445859  0.62922845  0.06895454  1
  H  H73  1  0.53445685  0.87078234  0.43105813  1
  C  C74  1  0.82817721  0.12239441  0.85404489  1
  C  C75  1  0.32819033  0.37759236  0.64594864  1
  C  C76  1  0.17180936  0.87759331  0.14594554  1
  C  C77  1  0.67180794  0.62240904  0.35405347  1
  C  C78  1  0.14035286  0.23094339  0.95057257  1
  C  C79  1  0.64034485  0.26904620  0.54941859  1
  C  C80  1  0.85966585  0.76904654  0.04941425  1
  C  C81  1  0.35965384  0.73095200  0.45058121  1
  C  C82  1  0.67762921  0.34011514  0.99304086  1
  C  C83  1  0.17763051  0.15988034  0.50695726  1
  C  C84  1  0.32237224  0.65988324  0.00695591  1
  C  C85  1  0.82236761  0.84012015  0.49304338  1
  C  C86  1  0.76081129  0.22532650  0.02625369  1
  C  C87  1  0.26080568  0.27467288  0.47374352  1
  C  C88  1  0.23919935  0.77467495  0.97374025  1
  C  C89  1  0.73919560  0.72532627  0.52625782  1
  C  C90  1  0.74130359  0.23449978  0.81992260  1
  C  C91  1  0.24131332  0.26549010  0.68007514  1
  C  C92  1  0.25868580  0.76549282  0.18007429  1
  C  C93  1  0.75868134  0.73451170  0.31992504  1
  C  C94  1  0.99096868  0.27644609  0.96031336  1
  C  C95  1  0.49096390  0.22352481  0.53964701  1
  C  C96  1  0.00904406  0.72351905  0.03963291  1
  C  C97  1  0.50903504  0.77647973  0.46036530  1
  N  N98  1  0.88362710  0.17450753  0.95843824  1
  N  N99  1  0.38362679  0.32548919  0.54155468  1
  N  N100  1  0.11637768  0.82549298  0.04155110  1
  N  N101  1  0.61637234  0.67450874  0.45844720  1
  N  N102  1  0.17504956  0.13225588  0.01383544  1
  N  N103  1  0.67505278  0.36774324  0.48616232  1
  N  N104  1  0.82494865  0.86774350  0.98616413  1
  N  N105  1  0.32494642  0.63225035  0.51383750  1
  N  N106  1  0.62836257  0.29129695  0.89032464  1
  N  N107  1  0.12836802  0.20869761  0.60967486  1
  N  N108  1  0.37163193  0.70870189  0.10967436  1
  N  N109  1  0.87162737  0.79130222  0.39032506  1
  O  O110  1  0.05509516  0.89828209  0.84848829  1
  O  O111  1  0.55510120  0.60171177  0.65150828  1
  O  O112  1  0.94490662  0.10172084  0.15151214  1
  O  O113  1  0.44489529  0.39828207  0.34848849  1
  O  O114  1  0.01979308  0.97116183  0.66960928  1
  O  O115  1  0.51979180  0.52883555  0.83038900  1
  O  O116  1  0.98020531  0.02883198  0.33038950  1
  O  O117  1  0.48020489  0.47116742  0.16961123  1
  O  O118  1  0.90366396  0.40881347  0.60999052  1
  O  O119  1  0.40367099  0.09116448  0.89001378  1
  O  O120  1  0.09635714  0.59122437  0.39001434  1
  O  O121  1  0.59631787  0.90883215  0.10997207  1
  O  O122  1  0.04198148  0.69319176  0.66956654  1
  O  O123  1  0.54198131  0.80680485  0.83042676  1
  O  O124  1  0.95802838  0.30680504  0.33044040  1
  O  O125  1  0.45803216  0.19319924  0.16956504  1
  O  O126  1  0.27416864  0.85613052  0.70726553  1
  O  O127  1  0.77416948  0.64386958  0.79273442  1
  O  O128  1  0.72583402  0.14386874  0.29273178  1
  O  O129  1  0.22582614  0.35612440  0.20726729  1
  O  O130  1  0.03990298  0.49787574  0.84608640  1
  O  O131  1  0.53990122  1.00213326  0.65390840  1
  O  O132  1  0.96010157  0.50216612  0.15395293  1
  O  O133  1  0.46010746  -0.00213566  0.34608117  1
