# generated using pymatgen
data_VCr4H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35243852
_cell_length_b   9.70438238
_cell_length_c   13.66499740
_cell_angle_alpha   103.33473372
_cell_angle_beta   90.00001162
_cell_angle_gamma   90.00013210
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr4H32C12(NO2)6
_chemical_formula_sum   'V2 Cr8 H64 C24 N12 O24'
_cell_volume   1206.79268115
_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  0.10204554  0.87083299  0.73406172  1
  Cr  Cr1  1  0.60204922  0.62915869  0.76593772  1
  Cr  Cr2  1  0.89795237  0.12916600  0.26593734  1
  Cr  Cr3  1  0.39794927  0.37084385  0.23406479  1
  Cr  Cr4  1  0.95688372  0.55791273  0.71897989  1
  Cr  Cr5  1  0.45688276  0.94207772  0.78102275  1
  Cr  Cr6  1  0.04311427  0.44208954  0.28102164  1
  Cr  Cr7  1  0.54311484  0.05792159  0.21897597  1
  V  V8  1  -0.00000019  0.99999990  0.99999949  1
  V  V9  1  0.50000016  0.50000013  0.50000115  1
  H  H10  1  0.19874111  0.19402543  0.08895090  1
  H  H11  1  0.69873715  0.30597150  0.41104615  1
  H  H12  1  0.80126016  0.80597426  0.91104798  1
  H  H13  1  0.30126356  0.69402953  0.58895565  1
  H  H14  1  0.28162639  0.09842721  0.98707123  1
  H  H15  1  0.78162556  0.40157090  0.51292394  1
  H  H16  1  0.71837371  0.90157230  0.01292759  1
  H  H17  1  0.21837506  0.59842984  0.48707796  1
  H  H18  1  0.57760366  0.37954610  0.86518728  1
  H  H19  1  0.07760687  0.12044419  0.63481353  1
  H  H20  1  0.42239589  0.62045541  0.13481350  1
  H  H21  1  0.92239193  0.87955608  0.36518502  1
  H  H22  1  0.54624073  0.20960789  0.88257123  1
  H  H23  1  0.04624036  0.29038222  0.61743122  1
  H  H24  1  0.45375814  0.79039293  0.11742824  1
  H  H25  1  0.95375994  0.70961903  0.38256882  1
  H  H26  1  0.77602286  0.03256422  0.84785915  1
  H  H27  1  0.27602178  0.46743184  0.65214326  1
  H  H28  1  0.22397628  0.96743645  0.15213926  1
  H  H29  1  0.72397942  0.53256666  0.34785912  1
  H  H30  1  0.93007939  0.10708176  0.80519331  1
  H  H31  1  0.43007948  0.39291567  0.69480851  1
  H  H32  1  0.06991948  0.89291915  0.19480484  1
  H  H33  1  0.56992109  0.60708104  0.30519345  1
  H  H34  1  0.21717100  0.32838197  0.96582382  1
  H  H35  1  0.71717071  0.17161685  0.53417404  1
  H  H36  1  0.78282992  0.67161715  0.03417409  1
  H  H37  1  0.28283093  0.82838269  0.46582698  1
  H  H38  1  0.15186208  0.18151273  0.87449775  1
  H  H39  1  0.65186445  0.31848679  0.62550027  1
  H  H40  1  0.84813786  0.81848586  0.12550107  1
  H  H41  1  0.34813646  0.68151191  0.37450118  1
  H  H42  1  0.57700817  0.36405848  0.04320734  1
  H  H43  1  0.07701032  0.13593420  0.45679505  1
  H  H44  1  0.42299228  0.63594067  0.95679306  1
  H  H45  1  0.92299008  0.86406859  0.54320400  1
  H  H46  1  0.73578696  0.43281070  0.00125256  1
  H  H47  1  0.23579088  0.06718523  0.49874914  1
  H  H48  1  0.26421303  0.56718901  0.99874743  1
  H  H49  1  0.76420811  0.93281547  0.50124970  1
  H  H50  1  0.79020383  0.25854935  0.10418249  1
  H  H51  1  0.29020128  0.24144964  0.39581903  1
  H  H52  1  0.20979738  0.74144957  0.89581614  1
  H  H53  1  0.70980128  0.75855200  0.60418172  1
  H  H54  1  0.68873282  0.12665468  0.02129429  1
  H  H55  1  0.18872991  0.37334127  0.47870901  1
  H  H56  1  0.31126814  0.87334445  0.97870440  1
  H  H57  1  0.81127292  0.62666063  0.52129152  1
  H  H58  1  0.80911308  0.33493849  0.81526038  1
  H  H59  1  0.30911541  0.16505798  0.68474225  1
  H  H60  1  0.19088590  0.66506302  0.18473940  1
  H  H61  1  0.69088331  0.83493835  0.31525592  1
  H  H62  1  0.70443185  0.19248380  0.74504828  1
  H  H63  1  0.20443290  0.30751148  0.75495357  1
  H  H64  1  0.29556692  0.80751800  0.25495139  1
  H  H65  1  0.79556680  0.69248389  0.24504652  1
  H  H66  1  0.98461529  0.35072356  0.05656571  1
  H  H67  1  0.48461229  0.14927455  0.44343514  1
  H  H68  1  0.01538519  0.64927657  0.94343275  1
  H  H69  1  0.51538903  0.85072506  0.55656571  1
  H  H70  1  0.96568870  0.36755044  0.92924913  1
  H  H71  1  0.46568976  0.13244869  0.57075214  1
  H  H72  1  0.03431184  0.63244920  0.07074915  1
  H  H73  1  0.53431102  0.86755022  0.42924822  1
  C  C74  1  0.83703784  0.13110169  0.85479573  1
  C  C75  1  0.33703745  0.36889488  0.64520612  1
  C  C76  1  0.16296154  0.86889897  0.14520296  1
  C  C77  1  0.66296295  0.63110329  0.35479511  1
  C  C78  1  0.14237143  0.23875882  0.95343874  1
  C  C79  1  0.64237139  0.26124054  0.54655941  1
  C  C80  1  0.85762903  0.76124096  0.04655980  1
  C  C81  1  0.35762961  0.73875892  0.45344183  1
  C  C82  1  0.67131574  0.33673700  0.99498465  1
  C  C83  1  0.17131788  0.16325760  0.50501723  1
  C  C84  1  0.32868443  0.66326251  0.00501519  1
  C  C85  1  0.82868200  0.83674349  0.49498196  1
  C  C86  1  0.75585683  0.22067785  0.02609058  1
  C  C87  1  0.25585627  0.27931976  0.47391170  1
  C  C88  1  0.24414379  0.77932172  0.97390853  1
  C  C89  1  0.74414551  0.72068140  0.52608884  1
  C  C90  1  0.74683160  0.24077397  0.81988206  1
  C  C91  1  0.24683309  0.25922129  0.68011973  1
  C  C92  1  0.25316724  0.75922718  0.18011729  1
  C  C93  1  0.75316655  0.74077621  0.31988014  1
  C  C94  1  0.99158782  0.29398664  0.97720279  1
  C  C95  1  0.49158690  0.20601240  0.52279810  1
  C  C96  1  0.00841275  0.70601292  0.02279569  1
  C  C97  1  0.50841426  0.79398714  0.47720283  1
  N  N98  1  0.88399676  0.17646572  0.96163892  1
  N  N99  1  0.38399651  0.32353280  0.53836279  1
  N  N100  1  0.11600359  0.82353412  0.03835956  1
  N  N101  1  0.61600494  0.67646708  0.46163891  1
  N  N102  1  0.18363479  0.13861416  0.01559553  1
  N  N103  1  0.68363291  0.36138369  0.48440180  1
  N  N104  1  0.81636571  0.86138582  0.98440356  1
  N  N105  1  0.31636768  0.63861682  0.51560027  1
  N  N106  1  0.62409311  0.29024929  0.88853462  1
  N  N107  1  0.12409523  0.20974294  0.61146735  1
  N  N108  1  0.37590616  0.70975124  0.11146538  1
  N  N109  1  0.87590440  0.79025768  0.38853183  1
  O  O110  1  0.04790944  0.92542305  0.86961647  1
  O  O111  1  0.54791588  0.57457466  0.63038330  1
  O  O112  1  0.95209007  0.07457736  0.13038276  1
  O  O113  1  0.45208408  0.42542586  0.36961878  1
  O  O114  1  0.03433443  0.98868752  0.67148167  1
  O  O115  1  0.53433435  0.51130187  0.82851493  1
  O  O116  1  0.96566689  0.01131359  0.32851832  1
  O  O117  1  0.46566558  0.48870134  0.17148820  1
  O  O118  1  0.92325130  0.42202578  0.62099226  1
  O  O119  1  0.42325384  0.07796248  0.87901294  1
  O  O120  1  0.07674725  0.57797326  0.37901122  1
  O  O121  1  0.57674375  0.92204042  0.12098361  1
  O  O122  1  0.04528709  0.69478626  0.67157394  1
  O  O123  1  0.54528909  0.80520389  0.82842600  1
  O  O124  1  0.95470687  0.30521486  0.32842370  1
  O  O125  1  0.45470903  0.19479875  0.17157624  1
  O  O126  1  0.29474571  0.85523276  0.72119257  1
  O  O127  1  0.79474858  0.64475877  0.77881146  1
  O  O128  1  0.70525240  0.14476234  0.27880817  1
  O  O129  1  0.20525020  0.35524447  0.22119069  1
  O  O130  1  0.05667153  0.51130916  0.80516535  1
  O  O131  1  0.55666686  0.98868628  0.69483774  1
  O  O132  1  0.94333071  0.48869746  0.19483588  1
  O  O133  1  0.44333152  0.01130959  0.30516035  1
