# generated using pymatgen
data_V2CrNi2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35785279
_cell_length_b   9.71497751
_cell_length_c   13.63957535
_cell_angle_alpha   103.58597890
_cell_angle_beta   89.99999099
_cell_angle_gamma   90.00016028
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrNi2H32C12(NO2)6
_chemical_formula_sum   'V4 Cr2 Ni4 H64 C24 N12 O24'
_cell_volume   1205.29511176
_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  0.09856685  0.84298527  0.74015620  1
  Ni  Ni1  1  0.59844536  0.65730775  0.75990537  1
  Ni  Ni2  1  0.90154180  0.15739197  0.25993138  1
  Ni  Ni3  1  0.40141183  0.34290799  0.24013163  1
  V  V4  1  0.94502306  0.54641384  0.73132819  1
  V  V5  1  0.44510337  0.95368970  0.76869702  1
  V  V6  1  0.05491411  0.45369979  0.26867337  1
  V  V7  1  0.55498574  0.04641768  0.23135073  1
  Cr  Cr8  1  0.00001222  0.99983757  1.00001342  1
  Cr  Cr9  1  0.50008294  0.49988828  0.50001592  1
  H  H10  1  0.18835834  0.20142993  0.09120015  1
  H  H11  1  0.68838603  0.29852608  0.40886208  1
  H  H12  1  0.81162068  0.79845548  0.90888177  1
  H  H13  1  0.31166642  0.70148777  0.59117916  1
  H  H14  1  0.27434696  0.10127182  0.99220893  1
  H  H15  1  0.77415938  0.39884365  0.50788814  1
  H  H16  1  0.72589446  0.89881920  0.00789813  1
  H  H17  1  0.22572020  0.60127578  0.49219532  1
  H  H18  1  0.54905216  0.44864144  0.86396046  1
  H  H19  1  0.04906998  0.05153685  0.63604522  1
  H  H20  1  0.45094608  0.55142058  0.13600882  1
  H  H21  1  0.95096187  0.94875198  0.36399384  1
  H  H22  1  0.53349064  0.22246931  0.89184307  1
  H  H23  1  0.03355621  0.27758912  0.60813695  1
  H  H24  1  0.46644031  0.77761986  0.10819373  1
  H  H25  1  0.96650219  0.72245017  0.39179375  1
  H  H26  1  0.76429372  0.02978384  0.85465697  1
  H  H27  1  0.26446047  0.47020867  0.64529720  1
  H  H28  1  0.23553101  0.97026460  0.14527638  1
  H  H29  1  0.73569721  0.52972479  0.35467183  1
  H  H30  1  0.91552514  0.09846783  0.80479179  1
  H  H31  1  0.41564778  0.40147602  0.69518748  1
  H  H32  1  0.08429963  0.90155506  0.19516358  1
  H  H33  1  0.58442493  0.59839113  0.30481417  1
  H  H34  1  0.21071657  0.32920648  0.96552396  1
  H  H35  1  0.71075344  0.17048916  0.53427102  1
  H  H36  1  0.78926644  0.67043922  0.03432673  1
  H  H37  1  0.28930056  0.82925084  0.46546687  1
  H  H38  1  0.15173137  0.17896674  0.87438160  1
  H  H39  1  0.65190959  0.32048254  0.62563034  1
  H  H40  1  0.84813900  0.82047437  0.12564552  1
  H  H41  1  0.34832693  0.67897070  0.37436312  1
  H  H42  1  0.55502913  0.41855789  0.10294202  1
  H  H43  1  0.05507714  0.08155707  0.39707207  1
  H  H44  1  0.44491927  0.58148509  0.89704701  1
  H  H45  1  0.94497584  0.91860191  0.60294282  1
  H  H46  1  0.73304919  0.43885454  0.00855534  1
  H  H47  1  0.23305228  0.06111171  0.49148154  1
  H  H48  1  0.26699640  0.56109659  0.99154329  1
  H  H49  1  0.76695897  0.93886270  0.50848077  1
  H  H50  1  0.79590299  0.26640284  0.10692784  1
  H  H51  1  0.29598989  0.23352165  0.39304048  1
  H  H52  1  0.20403012  0.73344376  0.89306021  1
  H  H53  1  0.70412667  0.76645696  0.60691680  1
  H  H54  1  0.68894836  0.13230299  0.03150861  1
  H  H55  1  0.18907339  0.36767098  0.46845815  1
  H  H56  1  0.31094663  0.86763209  0.96844251  1
  H  H57  1  0.81108220  0.63233775  0.53151731  1
  H  H58  1  0.79400813  0.32119535  0.80722268  1
  H  H59  1  0.29404471  0.17881680  0.69277426  1
  H  H60  1  0.20591465  0.67893470  0.19284275  1
  H  H61  1  0.70595345  0.82108170  0.30716954  1
  H  H62  1  0.67903248  0.17714407  0.75311551  1
  H  H63  1  0.17908045  0.32290273  0.74687755  1
  H  H64  1  0.32087326  0.82302288  0.24691601  1
  H  H65  1  0.82092868  0.67702216  0.25308061  1
  H  H66  1  0.97867542  0.36097690  0.05100510  1
  H  H67  1  0.47867076  0.13884284  0.44897217  1
  H  H68  1  0.02135100  0.63880920  0.94900554  1
  H  H69  1  0.52134871  0.86100676  0.55097958  1
  H  H70  1  0.96393992  0.35870065  0.91861341  1
  H  H71  1  0.46391239  0.14112888  0.58137277  1
  H  H72  1  0.03615325  0.64109959  0.08140014  1
  H  H73  1  0.53613644  0.85873166  0.41859715  1
  C  C74  1  0.82674060  0.12640735  0.85743772  1
  C  C75  1  0.32686084  0.37356209  0.64253694  1
  C  C76  1  0.17312940  0.87362181  0.14253630  1
  C  C77  1  0.67324447  0.62634287  0.35743896  1
  C  C78  1  0.13788181  0.23795886  0.95282201  1
  C  C79  1  0.63793054  0.26174888  0.54716014  1
  C  C80  1  0.86209533  0.76169759  0.04718234  1
  C  C81  1  0.36214314  0.73800408  0.45279199  1
  C  C82  1  0.67943072  0.33531801  0.99400330  1
  C  C83  1  0.17947649  0.16468110  0.50600358  1
  C  C84  1  0.32050783  0.66468297  0.00607416  1
  C  C85  1  0.82054256  0.83531487  0.49392723  1
  C  C86  1  0.75661827  0.22430010  0.03017577  1
  C  C87  1  0.25668868  0.27565367  0.46979182  1
  C  C88  1  0.24332463  0.77560996  0.96980377  1
  C  C89  1  0.74339359  0.72432945  0.53016980  1
  C  C90  1  0.73114499  0.23325761  0.82299937  1
  C  C91  1  0.23120388  0.26678907  0.67700216  1
  C  C92  1  0.26878397  0.76687081  0.17703963  1
  C  C93  1  0.76883199  0.73316134  0.32295793  1
  C  C94  1  0.98681829  0.29366298  0.97320593  1
  C  C95  1  0.48683297  0.20613394  0.52677457  1
  C  C96  1  0.01319748  0.70609393  0.02679657  1
  C  C97  1  0.51321935  0.79369756  0.47318907  1
  N  N98  1  0.88161349  0.17499343  0.96244656  1
  N  N99  1  0.38174908  0.32490758  0.53751805  1
  N  N100  1  0.11826331  0.82488719  0.03750784  1
  N  N101  1  0.61839833  0.67499652  0.46245303  1
  N  N102  1  0.17629662  0.14234768  0.01785743  1
  N  N103  1  0.67620565  0.35751421  0.48221534  1
  N  N104  1  0.82381581  0.85744101  0.98223435  1
  N  N105  1  0.32373978  0.64242082  0.51784051  1
  N  N106  1  0.62030418  0.29353623  0.89783716  1
  N  N107  1  0.12035441  0.20653474  0.60216781  1
  N  N108  1  0.37963305  0.70656596  0.10222532  1
  N  N109  1  0.87967561  0.79350209  0.39778102  1
  O  O110  1  0.04714079  0.93523519  0.87369801  1
  O  O111  1  0.54690628  0.56567042  0.62628925  1
  O  O112  1  0.95279639  0.06570983  0.12626419  1
  O  O113  1  0.45251086  0.43517668  0.37373592  1
  O  O114  1  0.00027598  0.97426863  0.66085995  1
  O  O115  1  0.50022911  0.52585000  0.83914125  1
  O  O116  1  0.99978508  0.02591444  0.33917245  1
  O  O117  1  0.49974938  0.47422902  0.16084517  1
  O  O118  1  0.90121324  0.39714795  0.64016016  1
  O  O119  1  0.40120186  0.10303556  0.85974011  1
  O  O120  1  0.09881885  0.60306409  0.35968245  1
  O  O121  1  0.59879779  0.89713718  0.14021677  1
  O  O122  1  0.04724202  0.65876021  0.67235099  1
  O  O123  1  0.54732493  0.84155985  0.82785973  1
  O  O124  1  0.95270865  0.34162305  0.32789566  1
  O  O125  1  0.45279396  0.15873517  0.17232933  1
  O  O126  1  0.29295805  0.85733740  0.71073359  1
  O  O127  1  0.79279674  0.64258664  0.78930616  1
  O  O128  1  0.70719813  0.14260086  0.28934159  1
  O  O129  1  0.20704431  0.35732763  0.21070014  1
  O  O130  1  0.04142733  0.50183446  0.82594413  1
  O  O131  1  0.54150303  0.99810602  0.67402016  1
  O  O132  1  0.95847421  0.49805726  0.17399030  1
  O  O133  1  0.45854120  0.00189825  0.32597363  1
