# generated using pymatgen
data_Mn2Cr3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38032809
_cell_length_b   9.74375319
_cell_length_c   13.68704897
_cell_angle_alpha   103.51563627
_cell_angle_beta   89.99999278
_cell_angle_gamma   90.00009941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Cr3H32C12(NO2)6
_chemical_formula_sum   'Mn4 Cr6 H64 C24 N12 O24'
_cell_volume   1216.34610580
_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  0.09209705  0.86363674  0.73012598  1
  Cr  Cr1  1  0.59210439  0.63635347  0.76987587  1
  Cr  Cr2  1  0.90790402  0.13636533  0.26987042  1
  Cr  Cr3  1  0.40789001  0.36365125  0.23012573  1
  Mn  Mn4  1  0.94786765  0.54210321  0.72653159  1
  Mn  Mn5  1  0.44786409  0.95786970  0.77346953  1
  Mn  Mn6  1  0.05212970  0.45792083  0.27346645  1
  Mn  Mn7  1  0.55213451  0.04213533  0.22653128  1
  Cr  Cr8  1  0.00000010  1.00000039  0.99999929  1
  Cr  Cr9  1  0.50000034  0.50000073  0.50000029  1
  H  H10  1  0.19047145  0.19455963  0.08655744  1
  H  H11  1  0.69047602  0.30544782  0.41343815  1
  H  H12  1  0.80952702  0.80544183  0.91344123  1
  H  H13  1  0.30952335  0.69455265  0.58656148  1
  H  H14  1  0.27707973  0.09894660  0.98596623  1
  H  H15  1  0.77707848  0.40105569  0.51403157  1
  H  H16  1  0.72292100  0.90105463  0.01403330  1
  H  H17  1  0.22292170  0.59894558  0.48596565  1
  H  H18  1  0.57391390  0.37531408  0.86950411  1
  H  H19  1  0.07391525  0.12468391  0.63049672  1
  H  H20  1  0.42608464  0.62468421  0.13049708  1
  H  H21  1  0.92608628  0.87531590  0.36950407  1
  H  H22  1  0.47764339  0.16574265  0.90373864  1
  H  H23  1  -0.02235785  0.33424585  0.59625035  1
  H  H24  1  0.52236228  0.83426154  0.09626144  1
  H  H25  1  1.02235954  0.66575333  0.40376517  1
  H  H26  1  0.75515835  0.02881748  0.85171502  1
  H  H27  1  0.25515701  0.47118277  0.64829097  1
  H  H28  1  0.24484330  0.97118384  0.14828547  1
  H  H29  1  0.74484295  0.52881722  0.35171029  1
  H  H30  1  0.90653787  0.08997143  0.79721242  1
  H  H31  1  0.40653794  0.41002708  0.70279122  1
  H  H32  1  0.09346502  0.91002950  0.20279055  1
  H  H33  1  0.59346298  0.58997351  0.29720950  1
  H  H34  1  0.20407552  0.33131023  0.96917094  1
  H  H35  1  0.70407571  0.16869314  0.53082046  1
  H  H36  1  0.79592281  0.66868900  0.03082601  1
  H  H37  1  0.29592490  0.83130760  0.46917987  1
  H  H38  1  0.16795076  0.18165231  0.87172484  1
  H  H39  1  0.66794427  0.31834120  0.62827131  1
  H  H40  1  0.83204965  0.81834218  0.12827380  1
  H  H41  1  0.33205681  0.68165951  0.37172916  1
  H  H42  1  0.58546315  0.36874762  0.04498279  1
  H  H43  1  0.08546220  0.13125319  0.45501941  1
  H  H44  1  0.41453732  0.63125320  0.95501843  1
  H  H45  1  0.91453735  0.86874906  0.54498166  1
  H  H46  1  0.74143593  0.43759363  0.00234657  1
  H  H47  1  0.24143491  0.06240709  0.49765613  1
  H  H48  1  0.25856572  0.56240553  0.99765559  1
  H  H49  1  0.75856509  0.93759342  0.50234332  1
  H  H50  1  0.80129641  0.26772724  0.10106672  1
  H  H51  1  0.30129380  0.23227908  0.39893432  1
  H  H52  1  0.19870335  0.73227294  0.89893484  1
  H  H53  1  0.69870732  0.76772055  0.60106624  1
  H  H54  1  0.69226130  0.13518897  0.02723391  1
  H  H55  1  0.19225475  0.36481045  0.47276643  1
  H  H56  1  0.30773918  0.86481020  0.97276622  1
  H  H57  1  0.80774627  0.63518996  0.52723295  1
  H  H58  1  0.80557985  0.32063431  0.80698323  1
  H  H59  1  0.30558554  0.17936050  0.69301377  1
  H  H60  1  0.19441901  0.67936781  0.19301541  1
  H  H61  1  0.69441673  0.82063887  0.30698628  1
  H  H62  1  0.68515273  0.18721094  0.74699736  1
  H  H63  1  0.18515756  0.31278087  0.75300551  1
  H  H64  1  0.31484888  0.81278915  0.25300388  1
  H  H65  1  0.81484300  0.68721797  0.24699423  1
  H  H66  1  0.97777740  0.42985583  0.10569095  1
  H  H67  1  0.47778285  0.07008800  0.39429007  1
  H  H68  1  0.02222256  0.57010777  0.89429758  1
  H  H69  1  0.52221678  0.92991133  0.60571018  1
  H  H70  1  0.96102952  0.37128258  0.93083782  1
  H  H71  1  0.46102879  0.12871524  0.56915736  1
  H  H72  1  0.03896542  0.62871118  0.06916074  1
  H  H73  1  0.53897238  0.87128463  0.43084178  1
  C  C74  1  0.82027195  0.12220615  0.85154420  1
  C  C75  1  0.32027167  0.37779381  0.64845872  1
  C  C76  1  0.17972989  0.87779518  0.14845726  1
  C  C77  1  0.67972935  0.62220662  0.35154176  1
  C  C78  1  0.13919594  0.23467685  0.94961968  1
  C  C79  1  0.63919364  0.26532212  0.55037327  1
  C  C80  1  0.86080339  0.76532107  0.05037812  1
  C  C81  1  0.36080764  0.73467872  0.44962675  1
  C  C82  1  0.67593623  0.34103641  0.99326502  1
  C  C83  1  0.17593546  0.15896323  0.50673614  1
  C  C84  1  0.32406453  0.65896313  0.00673638  1
  C  C85  1  0.82406496  0.84103771  0.49326420  1
  C  C86  1  0.75980819  0.22610075  0.02540789  1
  C  C87  1  0.25980474  0.27390209  0.47459374  1
  C  C88  1  0.24019197  0.77389868  0.97459330  1
  C  C89  1  0.74019625  0.72609875  0.52540665  1
  C  C90  1  0.73405443  0.23600786  0.81957423  1
  C  C91  1  0.23405755  0.26398819  0.68042706  1
  C  C92  1  0.26594762  0.76399348  0.18042680  1
  C  C93  1  0.76594444  0.73601148  0.31957338  1
  C  C94  1  0.98890867  0.27656607  0.95824248  1
  C  C95  1  0.48890618  0.22344081  0.54175989  1
  C  C96  1  0.01109176  0.72343660  0.04176235  1
  C  C97  1  0.51109521  0.77655995  0.45824004  1
  N  N98  1  0.88034662  0.17346129  0.95528654  1
  N  N99  1  0.38034303  0.32654116  0.54471579  1
  N  N100  1  0.11965427  0.82653769  0.04471534  1
  N  N101  1  0.61965803  0.67345968  0.45528466  1
  N  N102  1  0.17643591  0.13705863  0.01388873  1
  N  N103  1  0.67643410  0.36294622  0.48610817  1
  N  N104  1  0.82356467  0.86294173  0.98611010  1
  N  N105  1  0.32356727  0.63705446  0.51389221  1
  N  N106  1  0.62269655  0.29259040  0.89148656  1
  N  N107  1  0.12269674  0.20741039  0.60851499  1
  N  N108  1  0.37730546  0.70741069  0.10851478  1
  N  N109  1  0.87730562  0.79258880  0.39148566  1
  O  O110  1  0.05543032  0.90667224  0.85665447  1
  O  O111  1  0.55543667  0.59332859  0.64334859  1
  O  O112  1  0.94457037  0.09332236  0.14334183  1
  O  O113  1  0.44456404  0.40667431  0.35665156  1
  O  O114  1  0.01172402  0.97718013  0.67522887  1
  O  O115  1  0.51171530  0.52281615  0.82477009  1
  O  O116  1  0.98827651  0.02282509  0.32477020  1
  O  O117  1  0.48828595  0.47718211  0.17522941  1
  O  O118  1  0.90507501  0.40999339  0.60309742  1
  O  O119  1  0.40507570  0.08999797  0.89689546  1
  O  O120  1  0.09491946  0.58999576  0.39691670  1
  O  O121  1  0.59492734  0.91000781  0.10310556  1
  O  O122  1  0.03688569  0.69958189  0.67457004  1
  O  O123  1  0.53690477  0.80041088  0.82543912  1
  O  O124  1  0.96311352  0.30042209  0.32541448  1
  O  O125  1  0.46308051  0.19959012  0.17456359  1
  O  O126  1  0.26915935  0.86233375  0.70603013  1
  O  O127  1  0.76916629  0.63763623  0.79397198  1
  O  O128  1  0.73084278  0.13766865  0.29396783  1
  O  O129  1  0.23082761  0.36238273  0.20603143  1
  O  O130  1  0.04051087  0.48818656  0.83900445  1
  O  O131  1  0.54048689  1.01183105  0.66100644  1
  O  O132  1  0.95947409  0.51179178  0.16098021  1
  O  O133  1  0.45951430  -0.01183047  0.33899407  1
