# generated using pymatgen
data_Mn2CrFe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35884993
_cell_length_b   9.71410354
_cell_length_c   13.65368506
_cell_angle_alpha   103.41709731
_cell_angle_beta   90.00000899
_cell_angle_gamma   90.00012650
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrFe2H32C12(NO2)6
_chemical_formula_sum   'Mn4 Cr2 Fe4 H64 C24 N12 O24'
_cell_volume   1207.41618042
_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  0.09324958  0.86699497  0.73378397  1
  Mn  Mn1  1  0.59325235  0.63299883  0.76621561  1
  Mn  Mn2  1  0.90674788  0.13300535  0.26621551  1
  Mn  Mn3  1  0.40674640  0.36700269  0.23378571  1
  Fe  Fe4  1  0.94667752  0.55740747  0.73052217  1
  Fe  Fe5  1  0.44667804  0.94258550  0.76947946  1
  Fe  Fe6  1  0.05332201  0.44259425  0.26947899  1
  Fe  Fe7  1  0.55332017  0.05741432  0.23051941  1
  Cr  Cr8  1  -0.00000002  1.00000008  0.99999980  1
  Cr  Cr9  1  0.50000045  0.50000037  0.50000050  1
  H  H10  1  0.19453936  0.19570454  0.08815015  1
  H  H11  1  0.69453730  0.30429456  0.41184742  1
  H  H12  1  0.80545977  0.80429632  0.91184944  1
  H  H13  1  0.30546296  0.69570568  0.58815359  1
  H  H14  1  0.27745336  0.09912537  0.98714014  1
  H  H15  1  0.77745225  0.40087657  0.51285604  1
  H  H16  1  0.72254576  0.90087330  0.01286012  1
  H  H17  1  0.22254801  0.59912476  0.48714468  1
  H  H18  1  0.58462658  0.38511243  0.86965038  1
  H  H19  1  0.08462861  0.11488256  0.63035007  1
  H  H20  1  0.41537344  0.61488867  0.13035000  1
  H  H21  1  0.91537048  0.88511670  0.36964865  1
  H  H22  1  0.48094978  0.16763472  0.88896778  1
  H  H23  1  -0.01905169  0.33235755  0.61103533  1
  H  H24  1  0.51904822  0.83236705  0.11102952  1
  H  H25  1  1.01905120  0.66764204  0.38896733  1
  H  H26  1  0.76538464  0.03228198  0.85088529  1
  H  H27  1  0.26538585  0.46771533  0.64911769  1
  H  H28  1  0.23461498  0.96771949  0.14911340  1
  H  H29  1  0.73461431  0.53228198  0.35088471  1
  H  H30  1  0.91833008  0.09726697  0.80016996  1
  H  H31  1  0.41833153  0.40273038  0.69983251  1
  H  H32  1  0.08167035  0.90273415  0.19982926  1
  H  H33  1  0.58166957  0.59726654  0.30016877  1
  H  H34  1  0.20840921  0.33425431  0.97106800  1
  H  H35  1  0.70841001  0.16574616  0.52892980  1
  H  H36  1  0.79159154  0.66574526  0.02893075  1
  H  H37  1  0.29159167  0.83425427  0.47107101  1
  H  H38  1  0.16642104  0.18654991  0.87291453  1
  H  H39  1  0.66642493  0.31345033  0.62708362  1
  H  H40  1  0.83357935  0.81344900  0.12708505  1
  H  H41  1  0.33357638  0.68654988  0.37291702  1
  H  H42  1  0.58341315  0.36908213  0.04533253  1
  H  H43  1  0.08341396  0.13091537  0.45466823  1
  H  H44  1  0.41658615  0.63091663  0.95466716  1
  H  H45  1  0.91658570  0.86908765  0.54533078  1
  H  H46  1  0.74202794  0.44147751  0.01024109  1
  H  H47  1  0.24202960  0.05852129  0.48975969  1
  H  H48  1  0.25797134  0.55852239  0.98975960  1
  H  H49  1  0.75796911  0.94147901  0.51023823  1
  H  H50  1  0.79659383  0.26252145  0.10400428  1
  H  H51  1  0.29659314  0.23747973  0.39599763  1
  H  H52  1  0.20340581  0.73747688  0.89599536  1
  H  H53  1  0.70340793  0.76252285  0.60400268  1
  H  H54  1  0.69234268  0.13305677  0.02276965  1
  H  H55  1  0.19234166  0.36694195  0.47723354  1
  H  H56  1  0.30765769  0.86694199  0.97722911  1
  H  H57  1  0.80766042  0.63306059  0.52276783  1
  H  H58  1  0.81141969  0.32319961  0.80218334  1
  H  H59  1  0.31142116  0.17679678  0.69781639  1
  H  H60  1  0.18858167  0.67680313  0.19781745  1
  H  H61  1  0.68858070  0.82319699  0.30218008  1
  H  H62  1  0.68904400  0.18762445  0.74944202  1
  H  H63  1  0.18904650  0.31236980  0.75055990  1
  H  H64  1  0.31095787  0.81237986  0.25055690  1
  H  H65  1  0.81095730  0.68762097  0.24944143  1
  H  H66  1  0.96786006  0.41437940  0.10084997  1
  H  H67  1  0.46786152  0.08562473  0.39915066  1
  H  H68  1  0.03213691  0.58562552  0.89915344  1
  H  H69  1  0.53213465  0.91437172  0.60084594  1
  H  H70  1  0.96446520  0.37440831  0.92945229  1
  H  H71  1  0.46446727  0.12559133  0.57054828  1
  H  H72  1  0.03553561  0.62559182  0.07054745  1
  H  H73  1  0.53553428  0.87440780  0.42945131  1
  C  C74  1  0.82904789  0.12745544  0.85290083  1
  C  C75  1  0.32904966  0.37254226  0.64710114  1
  C  C76  1  0.17095235  0.87254567  0.14709827  1
  C  C77  1  0.67095132  0.62745535  0.35290001  1
  C  C78  1  0.14146771  0.23872596  0.95178612  1
  C  C79  1  0.64146907  0.26127427  0.54821245  1
  C  C80  1  0.85853255  0.76127383  0.04821319  1
  C  C81  1  0.35853212  0.73872567  0.45178831  1
  C  C82  1  0.67699709  0.34374660  0.99583584  1
  C  C83  1  0.17699786  0.15625119  0.50416527  1
  C  C84  1  0.32300271  0.65625291  0.00416417  1
  C  C85  1  0.82300193  0.84374980  0.49583376  1
  C  C86  1  0.75949314  0.22620279  0.02649249  1
  C  C87  1  0.25949319  0.27379669  0.47350968  1
  C  C88  1  0.24050672  0.77379660  0.97350708  1
  C  C89  1  0.74050785  0.72620476  0.52649074  1
  C  C90  1  0.74160943  0.24047989  0.81998676  1
  C  C91  1  0.24161091  0.25951672  0.68001413  1
  C  C92  1  0.25839146  0.75952232  0.18001317  1
  C  C93  1  0.75839057  0.74047894  0.31998486  1
  C  C94  1  0.99131938  0.28290368  0.96173204  1
  C  C95  1  0.49132049  0.21709612  0.53826814  1
  C  C96  1  0.00868091  0.71709557  0.03826695  1
  C  C97  1  0.50868069  0.78290422  0.46173262  1
  N  N98  1  0.88324240  0.17859556  0.95809685  1
  N  N99  1  0.38324294  0.32140407  0.54190483  1
  N  N100  1  0.11675791  0.82140458  0.04190252  1
  N  N101  1  0.61675826  0.67859573  0.45809608  1
  N  N102  1  0.17907800  0.13933647  0.01484910  1
  N  N103  1  0.67907714  0.36066324  0.48514850  1
  N  N104  1  0.82092165  0.86066407  0.98515063  1
  N  N105  1  0.32092345  0.63933685  0.51485247  1
  N  N106  1  0.63125727  0.30019004  0.89193002  1
  N  N107  1  0.13125843  0.19980632  0.60807124  1
  N  N108  1  0.36874296  0.69981044  0.10806988  1
  N  N109  1  0.86874160  0.80019308  0.39192799  1
  O  O110  1  0.05447310  0.91027223  0.86187614  1
  O  O111  1  0.55448035  0.58972780  0.63812259  1
  O  O112  1  0.94552724  0.08972753  0.13812373  1
  O  O113  1  0.44552074  0.41027275  0.36187838  1
  O  O114  1  0.01420923  0.98188313  0.67619294  1
  O  O115  1  0.51420652  0.51810710  0.82380070  1
  O  O116  1  0.98579005  0.01812039  0.32380836  1
  O  O117  1  0.48579348  0.48189372  0.17620074  1
  O  O118  1  0.90311916  0.40397634  0.62236550  1
  O  O119  1  0.40312289  0.09601328  0.87763894  1
  O  O120  1  0.09687893  0.59602168  0.37763919  1
  O  O121  1  0.59687361  0.90399023  0.12235663  1
  O  O122  1  0.04634584  0.69290759  0.67567211  1
  O  O123  1  0.54635025  0.80708650  0.82432771  1
  O  O124  1  0.95364881  0.30709438  0.32432601  1
  O  O125  1  0.45364684  0.19291440  0.17567353  1
  O  O126  1  0.27667994  0.85187424  0.70947992  1
  O  O127  1  0.77668088  0.64811725  0.79052525  1
  O  O128  1  0.72331818  0.14812446  0.29052028  1
  O  O129  1  0.22331841  0.35188410  0.20947566  1
  O  O130  1  0.04625892  0.50900879  0.83873494  1
  O  O131  1  0.54625328  0.99098772  0.66126556  1
  O  O132  1  0.95374348  0.49099814  0.16126714  1
  O  O133  1  0.45374543  0.00900777  0.33873191  1
