# generated using pymatgen
data_V2FeNi2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36163005
_cell_length_b   9.71437288
_cell_length_c   13.65233085
_cell_angle_alpha   103.53750927
_cell_angle_beta   89.99984502
_cell_angle_gamma   90.00006867
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2FeNi2H32C12(NO2)6
_chemical_formula_sum   'V4 Fe2 Ni4 H64 C24 N12 O24'
_cell_volume   1207.08042826
_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  0.10179317  0.84624477  0.74138024  1
  Ni  Ni1  1  0.60177617  0.65376247  0.75862602  1
  Ni  Ni2  1  0.89817556  0.15386880  0.25861159  1
  Ni  Ni3  1  0.39821263  0.34611610  0.24136630  1
  V  V4  1  0.94789555  0.55010061  0.73362438  1
  V  V5  1  0.44789824  0.94989651  0.76637414  1
  V  V6  1  0.05214599  0.44989952  0.26637537  1
  V  V7  1  0.55212699  0.05011325  0.23362252  1
  Fe  Fe8  1  0.00000405  0.99997991  1.00000652  1
  Fe  Fe9  1  0.50000481  0.50001774  0.49998651  1
  H  H10  1  0.18660660  0.20360841  0.09192862  1
  H  H11  1  0.68661023  0.29639009  0.40806557  1
  H  H12  1  0.81342226  0.79636138  0.90805879  1
  H  H13  1  0.31342934  0.70363295  0.59193775  1
  H  H14  1  0.27338556  0.10089456  0.99405468  1
  H  H15  1  0.77340693  0.39909821  0.50593710  1
  H  H16  1  0.72663038  0.89906601  0.00594384  1
  H  H17  1  0.22661076  0.60094162  0.49405755  1
  H  H18  1  0.55142743  0.44697391  0.86233674  1
  H  H19  1  0.05143565  0.05306192  0.63770297  1
  H  H20  1  0.44854551  0.55293781  0.13778374  1
  H  H21  1  0.94849633  0.94695008  0.36219004  1
  H  H22  1  0.53449858  0.22114471  0.88876112  1
  H  H23  1  0.03452359  0.27885661  0.61127576  1
  H  H24  1  0.46552469  0.77881218  0.11129206  1
  H  H25  1  0.96549735  0.72119675  0.38870012  1
  H  H26  1  0.76550627  0.03029014  0.85598549  1
  H  H27  1  0.26556416  0.46974703  0.64401957  1
  H  H28  1  0.23446080  0.96975663  0.14398563  1
  H  H29  1  0.73443302  0.53023398  0.35598882  1
  H  H30  1  0.91738039  0.09733534  0.80656502  1
  H  H31  1  0.41743610  0.40269897  0.69344339  1
  H  H32  1  0.08260019  0.90274370  0.19344555  1
  H  H33  1  0.58257762  0.59725064  0.30653645  1
  H  H34  1  0.21085308  0.32539357  0.96160281  1
  H  H35  1  0.71086457  0.17460286  0.53839701  1
  H  H36  1  0.78918017  0.67453140  0.03839378  1
  H  H37  1  0.28916579  0.82546671  0.46159456  1
  H  H38  1  0.14890741  0.17253012  0.87447717  1
  H  H39  1  0.64893610  0.32747112  0.62552258  1
  H  H40  1  0.85109176  0.82740763  0.12552044  1
  H  H41  1  0.35107552  0.67259092  0.37447156  1
  H  H42  1  0.54929413  0.41786576  0.10025476  1
  H  H43  1  0.04917360  0.08204516  0.39962160  1
  H  H44  1  0.45081995  0.58217493  0.89979514  1
  H  H45  1  0.95087387  0.91790179  0.60025690  1
  H  H46  1  0.72698928  0.44219887  0.00707980  1
  H  H47  1  0.22699870  0.05767980  0.49290368  1
  H  H48  1  0.27294578  0.55775832  0.99298171  1
  H  H49  1  0.77293965  0.94228469  0.50705410  1
  H  H50  1  0.79372271  0.27132023  0.10592839  1
  H  H51  1  0.29370671  0.22870716  0.39410892  1
  H  H52  1  0.20627659  0.72859085  0.89408110  1
  H  H53  1  0.70628047  0.77133898  0.60588652  1
  H  H54  1  0.68937894  0.13465263  0.03127988  1
  H  H55  1  0.18936303  0.36533817  0.46876747  1
  H  H56  1  0.31064096  0.86529038  0.96870763  1
  H  H57  1  0.81063819  0.63468628  0.53124309  1
  H  H58  1  0.79504730  0.31924071  0.80421579  1
  H  H59  1  0.29508582  0.18082498  0.69584398  1
  H  H60  1  0.20490026  0.68086621  0.19583936  1
  H  H61  1  0.70488426  0.81912165  0.30412500  1
  H  H62  1  0.68100467  0.17417807  0.75117212  1
  H  H63  1  0.18106526  0.32588900  0.74891000  1
  H  H64  1  0.31893000  0.82596392  0.24886844  1
  H  H65  1  0.81891982  0.67402899  0.25109619  1
  H  H66  1  0.97990322  0.36128479  0.05021994  1
  H  H67  1  0.47990912  0.13872532  0.44979015  1
  H  H68  1  0.02013203  0.63867446  0.94978845  1
  H  H69  1  0.52012881  0.86131882  0.55020321  1
  H  H70  1  0.96617823  0.35916712  0.91771322  1
  H  H71  1  0.46618652  0.14085333  0.58230200  1
  H  H72  1  0.03386175  0.64082340  0.08230057  1
  H  H73  1  0.53384976  0.85917379  0.41768877  1
  C  C74  1  0.82764862  0.12672164  0.85785254  1
  C  C75  1  0.32768976  0.37331301  0.64218259  1
  C  C76  1  0.17231430  0.87333804  0.14214705  1
  C  C77  1  0.67229431  0.62665668  0.35781940  1
  C  C78  1  0.13696918  0.23527651  0.95191754  1
  C  C79  1  0.63698988  0.26472528  0.54808313  1
  C  C80  1  0.86304268  0.76466502  0.04808127  1
  C  C81  1  0.36302704  0.73533398  0.45191034  1
  C  C82  1  0.67828879  0.33632410  0.99091731  1
  C  C83  1  0.17832215  0.16367827  0.50913923  1
  C  C84  1  0.32169828  0.66367094  0.00916241  1
  C  C85  1  0.82165632  0.83631557  0.49082993  1
  C  C86  1  0.75560581  0.22749291  0.02920498  1
  C  C87  1  0.25560950  0.27249788  0.47084602  1
  C  C88  1  0.24439677  0.77246492  0.97080584  1
  C  C89  1  0.74440127  0.72752260  0.52915739  1
  C  C90  1  0.73245316  0.23159902  0.82087456  1
  C  C91  1  0.23250684  0.26846704  0.67919725  1
  C  C92  1  0.26749739  0.76848605  0.17916271  1
  C  C93  1  0.76747595  0.73150144  0.32079902  1
  C  C94  1  0.98704677  0.29394256  0.97258667  1
  C  C95  1  0.48706889  0.20606926  0.52742446  1
  C  C96  1  0.01297024  0.70602908  0.02741746  1
  C  C97  1  0.51295403  0.79396498  0.47257061  1
  N  N98  1  0.88068103  0.17748537  0.96263808  1
  N  N99  1  0.38071756  0.32254851  0.53738157  1
  N  N100  1  0.11929509  0.82252416  0.03735622  1
  N  N101  1  0.61927282  0.67745234  0.46262014  1
  N  N102  1  0.17565844  0.14314979  0.01886912  1
  N  N103  1  0.67567488  0.35684902  0.48112859  1
  N  N104  1  0.82435445  0.85679687  0.98113046  1
  N  N105  1  0.32434473  0.64319771  0.51886088  1
  N  N106  1  0.62093624  0.29270629  0.89487361  1
  N  N107  1  0.12099725  0.20734259  0.60516560  1
  N  N108  1  0.37903857  0.70732222  0.10517580  1
  N  N109  1  0.87899544  0.79267395  0.39481441  1
  O  O110  1  0.04711224  0.94474839  0.86804157  1
  O  O111  1  0.54710918  0.55528650  0.63194829  1
  O  O112  1  0.95267494  0.05533527  0.13191383  1
  O  O113  1  0.45274838  0.44464136  0.36806804  1
  O  O114  1  0.00303476  0.97323382  0.65926578  1
  O  O115  1  0.50296674  0.52682284  0.84069765  1
  O  O116  1  0.99694648  0.02675730  0.34060928  1
  O  O117  1  0.49708019  0.47311025  0.15938289  1
  O  O118  1  0.90504195  0.40003728  0.64343337  1
  O  O119  1  0.40499956  0.09993593  0.85655346  1
  O  O120  1  0.09508845  0.60002276  0.35648513  1
  O  O121  1  0.59511134  0.89998915  0.14353350  1
  O  O122  1  0.04984476  0.66227281  0.67456407  1
  O  O123  1  0.54988579  0.83775134  0.82543963  1
  O  O124  1  0.95025436  0.33778543  0.32552442  1
  O  O125  1  0.45017081  0.16216010  0.17446288  1
  O  O126  1  0.29547475  0.85393203  0.70861642  1
  O  O127  1  0.79545674  0.64602265  0.79138553  1
  O  O128  1  0.70450141  0.14614482  0.29141533  1
  O  O129  1  0.20454045  0.35393308  0.20855860  1
  O  O130  1  0.04459403  0.50615841  0.82850022  1
  O  O131  1  0.54457735  0.99386288  0.67149947  1
  O  O132  1  0.95535457  0.49378631  0.17152024  1
  O  O133  1  0.45538362  0.00622587  0.32849772  1
