# generated using pymatgen
data_VCo2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34509900
_cell_length_b   9.69459967
_cell_length_c   13.62679039
_cell_angle_alpha   103.49111986
_cell_angle_beta   90.00002162
_cell_angle_gamma   90.00013557
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCo2Ni2H32C12(NO2)6
_chemical_formula_sum   'V2 Co4 Ni4 H64 C24 N12 O24'
_cell_volume   1200.48028425
_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
  Co  Co0  1  0.09109334  0.86780036  0.73213844  1
  Co  Co1  1  0.59109417  0.63219091  0.76786050  1
  Co  Co2  1  0.90890498  0.13220103  0.26786134  1
  Co  Co3  1  0.40890481  0.36781233  0.23214114  1
  Ni  Ni4  1  0.93532431  0.56162366  0.73335929  1
  Ni  Ni5  1  0.43532381  0.93836847  0.76664200  1
  Ni  Ni6  1  0.06467416  0.43837925  0.26664003  1
  Ni  Ni7  1  0.56467421  0.06162990  0.23335734  1
  V  V8  1  0.00000011  1.00000004  0.99999987  1
  V  V9  1  0.50000024  0.50000013  0.50000063  1
  H  H10  1  0.19692531  0.20328312  0.08901606  1
  H  H11  1  0.69692326  0.29671758  0.41098235  1
  H  H12  1  0.80307529  0.79671672  0.91098374  1
  H  H13  1  0.30307761  0.70328312  0.58901879  1
  H  H14  1  0.27910793  0.10010242  0.98655569  1
  H  H15  1  0.77910759  0.39989700  0.51344167  1
  H  H16  1  0.72089178  0.89989701  0.01344358  1
  H  H17  1  0.22089324  0.60010334  0.48655994  1
  H  H18  1  0.58379530  0.38427495  0.86677351  1
  H  H19  1  0.08379769  0.11571753  0.63322271  1
  H  H20  1  0.41620581  0.61572682  0.13322801  1
  H  H21  1  0.91620045  0.88428185  0.36677643  1
  H  H22  1  0.47222957  0.15661769  0.88639721  1
  H  H23  1  -0.02777345  0.34337330  0.61360669  1
  H  H24  1  0.52776913  0.84338338  0.11359854  1
  H  H25  1  1.02777465  0.65662737  0.38639545  1
  H  H26  1  0.75767986  0.03068342  0.85189092  1
  H  H27  1  0.25767876  0.46931334  0.64811209  1
  H  H28  1  0.24232014  0.96931871  0.14810837  1
  H  H29  1  0.74232168  0.53068337  0.35188923  1
  H  H30  1  0.91218737  0.08335423  0.79254379  1
  H  H31  1  0.41218701  0.41664500  0.70746112  1
  H  H32  1  0.08781357  0.91664692  0.20745544  1
  H  H33  1  0.58781384  0.58335103  0.29253873  1
  H  H34  1  0.20878812  0.33190010  0.96685434  1
  H  H35  1  0.70878796  0.16809922  0.53314278  1
  H  H36  1  0.79121307  0.66809944  0.03314491  1
  H  H37  1  0.29121386  0.83190080  0.46685824  1
  H  H38  1  0.16978221  0.17896232  0.87141922  1
  H  H39  1  0.66978480  0.32103636  0.62857966  1
  H  H40  1  0.83021642  0.82103668  0.12858075  1
  H  H41  1  0.33021421  0.67896337  0.37142096  1
  H  H42  1  0.58331029  0.36543975  0.04363648  1
  H  H43  1  0.08331347  0.13455525  0.45636144  1
  H  H44  1  0.41668913  0.63455788  0.95636327  1
  H  H45  1  0.91668565  0.86544671  0.54363783  1
  H  H46  1  0.74112191  0.44272615  0.01250191  1
  H  H47  1  0.24112645  0.05727391  0.48749824  1
  H  H48  1  0.25887725  0.55727343  0.98749924  1
  H  H49  1  0.75887250  0.94272606  0.51249952  1
  H  H50  1  0.80130153  0.26129302  0.10181995  1
  H  H51  1  0.30130256  0.23870996  0.39818206  1
  H  H52  1  0.19869848  0.73870499  0.89817996  1
  H  H53  1  0.69869757  0.76129194  0.60181801  1
  H  H54  1  0.69313266  0.13248864  0.02279431  1
  H  H55  1  0.19313273  0.36751138  0.47720806  1
  H  H56  1  0.30686819  0.86750994  0.97720435  1
  H  H57  1  0.80686857  0.63249038  0.52279346  1
  H  H58  1  0.81231410  0.31669219  0.79672875  1
  H  H59  1  0.31231393  0.18330276  0.70327113  1
  H  H60  1  0.18768753  0.68331127  0.20327250  1
  H  H61  1  0.68768773  0.81669131  0.29672574  1
  H  H62  1  0.68295465  0.18429668  0.74845695  1
  H  H63  1  0.18295409  0.31569630  0.75154350  1
  H  H64  1  0.31704768  0.81570703  0.25154220  1
  H  H65  1  0.81704845  0.68429705  0.24845691  1
  H  H66  1  0.97621728  0.41941592  0.10353743  1
  H  H67  1  0.47621721  0.08059042  0.39646040  1
  H  H68  1  0.02377838  0.58058852  0.89646199  1
  H  H69  1  0.52377842  0.91940632  0.60353877  1
  H  H70  1  0.96674630  0.37226703  0.92577228  1
  H  H71  1  0.46674794  0.12773126  0.57422842  1
  H  H72  1  0.03325537  0.62773345  0.07422814  1
  H  H73  1  0.53325348  0.87226687  0.42577005  1
  C  C74  1  0.82602777  0.12156965  0.84934918  1
  C  C75  1  0.32602852  0.37842828  0.65065422  1
  C  C76  1  0.17397318  0.87843197  0.15065008  1
  C  C77  1  0.67397184  0.62156816  0.34934579  1
  C  C78  1  0.14291345  0.23517332  0.94938322  1
  C  C79  1  0.64291370  0.26482633  0.55061554  1
  C  C80  1  0.85708716  0.76482673  0.05061674  1
  C  C81  1  0.35708704  0.73517297  0.44938489  1
  C  C82  1  0.67817521  0.34299361  0.99488806  1
  C  C83  1  0.17817723  0.15700445  0.50511151  1
  C  C84  1  0.32182479  0.65700542  0.00511225  1
  C  C85  1  0.82182225  0.84299591  0.49488769  1
  C  C86  1  0.76160537  0.22467601  0.02472985  1
  C  C87  1  0.26160586  0.27532459  0.47527178  1
  C  C88  1  0.23839513  0.77532310  0.97526976  1
  C  C89  1  0.73839471  0.72467607  0.52472844  1
  C  C90  1  0.74030048  0.23708047  0.81734099  1
  C  C91  1  0.24030060  0.26291460  0.68265925  1
  C  C92  1  0.25970110  0.76292210  0.18265906  1
  C  C93  1  0.75970084  0.73708084  0.31733992  1
  C  C94  1  0.99193380  0.27732404  0.95541432  1
  C  C95  1  0.49193376  0.22267584  0.54458693  1
  C  C96  1  0.00806698  0.72267530  0.04458488  1
  C  C97  1  0.50806703  0.77732375  0.45541274  1
  N  N98  1  0.88360214  0.17512461  0.95386278  1
  N  N99  1  0.38360227  0.32487477  0.54614016  1
  N  N100  1  0.11639855  0.82487572  0.04613681  1
  N  N101  1  0.61639881  0.67512409  0.45385997  1
  N  N102  1  0.18050910  0.14087111  0.01618599  1
  N  N103  1  0.68050858  0.35912874  0.48381284  1
  N  N104  1  0.81949138  0.85912848  0.98381385  1
  N  N105  1  0.31949241  0.64087153  0.51618844  1
  N  N106  1  0.63382166  0.30180579  0.89087281  1
  N  N107  1  0.13382183  0.19818997  0.60912650  1
  N  N108  1  0.36617894  0.69819471  0.10912732  1
  N  N109  1  0.86617784  0.80180892  0.39087280  1
  O  O110  1  0.05473819  0.92023580  0.87564799  1
  O  O111  1  0.55474561  0.57976861  0.62434600  1
  O  O112  1  0.94526247  0.07976330  0.12435229  1
  O  O113  1  0.44525374  0.42022956  0.37565564  1
  O  O114  1  0.00154609  1.00147957  0.69287860  1
  O  O115  1  0.50154444  0.49850131  0.80710688  1
  O  O116  1  0.99845293  -0.00147484  0.30712375  1
  O  O117  1  0.49845482  0.50150615  0.19290016  1
  O  O118  1  0.89100773  0.41020777  0.62384650  1
  O  O119  1  0.39100917  0.08978452  0.87615703  1
  O  O120  1  0.10899172  0.58979084  0.37615653  1
  O  O121  1  0.60898784  0.91021856  0.12383806  1
  O  O122  1  0.03539849  0.69277133  0.67961847  1
  O  O123  1  0.53539805  0.80721861  0.82038241  1
  O  O124  1  0.96459469  0.30723153  0.32037822  1
  O  O125  1  0.46460411  0.19278624  0.17961918  1
  O  O126  1  0.27663435  0.84599561  0.70134933  1
  O  O127  1  0.77663480  0.65399526  0.79865317  1
  O  O128  1  0.72336522  0.15399811  0.29865296  1
  O  O129  1  0.22336454  0.34600792  0.20134629  1
  O  O130  1  0.03219998  0.49920176  0.83844710  1
  O  O131  1  0.53219779  1.00079244  0.66155429  1
  O  O132  1  0.96779983  0.50080265  0.16155296  1
  O  O133  1  0.46779669  -0.00079364  0.33844347  1
