# generated using pymatgen
data_V3Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36015038
_cell_length_b   9.71554812
_cell_length_c   13.65548344
_cell_angle_alpha   103.45391547
_cell_angle_beta   90.00000324
_cell_angle_gamma   90.00014048
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Ni2H32C12(NO2)6
_chemical_formula_sum   'V6 Ni4 H64 C24 N12 O24'
_cell_volume   1207.73720006
_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
  V  V0  1  0.09310143  0.86247686  0.73220122  1
  V  V1  1  0.59310494  0.63751651  0.76779932  1
  V  V2  1  0.90689598  0.13752249  0.26779797  1
  V  V3  1  0.40689323  0.36248533  0.23220244  1
  Ni  Ni4  1  0.94495503  0.54729865  0.73092683  1
  Ni  Ni5  1  0.44495501  0.95269452  0.76907444  1
  Ni  Ni6  1  0.05504602  0.45270351  0.26907522  1
  Ni  Ni7  1  0.55504468  0.04730430  0.23092244  1
  V  V8  1  -0.00000024  0.99999945  1.00000000  1
  V  V9  1  0.50000038  0.49999987  0.50000074  1
  H  H10  1  0.19806748  0.19615611  0.08719909  1
  H  H11  1  0.69806448  0.30384107  0.41279651  1
  H  H12  1  0.80193229  0.80384409  0.91280130  1
  H  H13  1  0.30193667  0.69616005  0.58720425  1
  H  H14  1  0.28147531  0.10075432  0.98284584  1
  H  H15  1  0.78147479  0.39924289  0.51714648  1
  H  H16  1  0.71852449  0.89924478  0.01715505  1
  H  H17  1  0.21852611  0.60075795  0.48285399  1
  H  H18  1  0.58059137  0.37817524  0.86901218  1
  H  H19  1  0.08059628  0.12181823  0.63098839  1
  H  H20  1  0.41940851  0.62182532  0.13098864  1
  H  H21  1  0.91940313  0.87818160  0.36900996  1
  H  H22  1  0.47093520  0.16555858  0.89543076  1
  H  H23  1  -0.02906903  0.33443020  0.60457629  1
  H  H24  1  0.52906092  0.83444165  0.10456600  1
  H  H25  1  1.02906826  0.66557081  0.39542545  1
  H  H26  1  0.76214460  0.02962351  0.85149285  1
  H  H27  1  0.26214499  0.47037361  0.64850994  1
  H  H28  1  0.23785495  0.97037754  0.14850667  1
  H  H29  1  0.73785601  0.52962505  0.35149200  1
  H  H30  1  0.91509216  0.09179479  0.79822665  1
  H  H31  1  0.41509363  0.40820373  0.70177556  1
  H  H32  1  0.08490827  0.90820662  0.20177335  1
  H  H33  1  0.58490745  0.59179379  0.29822540  1
  H  H34  1  0.20776442  0.33308424  0.97004843  1
  H  H35  1  0.70776487  0.16691477  0.52994789  1
  H  H36  1  0.79223563  0.66691497  0.02995081  1
  H  H37  1  0.29223636  0.83308542  0.47005269  1
  H  H38  1  0.16848836  0.18399477  0.87256382  1
  H  H39  1  0.66849863  0.31600775  0.62743268  1
  H  H40  1  0.83151090  0.81600518  0.12743661  1
  H  H41  1  0.33150137  0.68399137  0.37256777  1
  H  H42  1  0.58458823  0.36543823  0.04440389  1
  H  H43  1  0.08459062  0.13455920  0.45559813  1
  H  H44  1  0.41541063  0.63456003  0.95559631  1
  H  H45  1  0.91540856  0.86544421  0.54440133  1
  H  H46  1  0.74155938  0.43845989  0.00647549  1
  H  H47  1  0.24156358  0.06153904  0.49352476  1
  H  H48  1  0.25843907  0.56154081  0.99352577  1
  H  H49  1  0.75843485  0.93846091  0.50647325  1
  H  H50  1  0.80025224  0.26342044  0.10243970  1
  H  H51  1  0.30025313  0.23658171  0.39756230  1
  H  H52  1  0.19974732  0.73657878  0.89756039  1
  H  H53  1  0.69974830  0.76342020  0.60243819  1
  H  H54  1  0.69398590  0.13151672  0.02452708  1
  H  H55  1  0.19398674  0.36848286  0.47547663  1
  H  H56  1  0.30601317  0.86848307  0.97547342  1
  H  H57  1  0.80601448  0.63151887  0.52452352  1
  H  H58  1  0.80930000  0.31916996  0.80128364  1
  H  H59  1  0.30930454  0.18082636  0.69871706  1
  H  H60  1  0.19070100  0.68083258  0.19871810  1
  H  H61  1  0.69069737  0.81916845  0.30127914  1
  H  H62  1  0.68639161  0.18257847  0.74822725  1
  H  H63  1  0.18639517  0.31741544  0.75177500  1
  H  H64  1  0.31360944  0.81742458  0.25177352  1
  H  H65  1  0.81360723  0.68257858  0.24822461  1
  H  H66  1  0.96841007  0.42366535  0.10274187  1
  H  H67  1  0.46840994  0.07633824  0.39725572  1
  H  H68  1  0.03159097  0.57634456  0.89725877  1
  H  H69  1  0.53158956  0.92365319  0.60274140  1
  H  H70  1  0.96586252  0.37279265  0.92903003  1
  H  H71  1  0.46586690  0.12720614  0.57097089  1
  H  H72  1  0.03413630  0.62720849  0.07097138  1
  H  H73  1  0.53413347  0.87279153  0.42902580  1
  C  C74  1  0.82705813  0.12361091  0.85175085  1
  C  C75  1  0.32705938  0.37638695  0.64825141  1
  C  C76  1  0.17294168  0.87638938  0.14824916  1
  C  C77  1  0.67294095  0.62361195  0.35174946  1
  C  C78  1  0.14196643  0.23676496  0.95095135  1
  C  C79  1  0.64196905  0.26323556  0.54904665  1
  C  C80  1  0.85803285  0.76323521  0.04904882  1
  C  C81  1  0.35803189  0.73676412  0.45095335  1
  C  C82  1  0.67719649  0.34029001  0.99388307  1
  C  C83  1  0.17719967  0.15970789  0.50611830  1
  C  C84  1  0.32280292  0.65970968  0.00611785  1
  C  C85  1  0.82280016  0.84029331  0.49388049  1
  C  C86  1  0.76072616  0.22438290  0.02567237  1
  C  C87  1  0.26072777  0.27561710  0.47432974  1
  C  C88  1  0.23927353  0.77561643  0.97432784  1
  C  C89  1  0.73927329  0.72438423  0.52567031  1
  C  C90  1  0.73911935  0.23613039  0.81860529  1
  C  C91  1  0.23912243  0.26386534  0.68139648  1
  C  C92  1  0.26088169  0.76387150  0.18139575  1
  C  C93  1  0.76087882  0.73613127  0.31860223  1
  C  C94  1  0.99169744  0.27956706  0.95996485  1
  C  C95  1  0.49170029  0.22043407  0.54003758  1
  C  C96  1  0.00830245  0.72043229  0.04003412  1
  C  C97  1  0.50830009  0.77956735  0.45996383  1
  N  N98  1  0.88371674  0.17551455  0.95639732  1
  N  N99  1  0.38371874  0.32448489  0.54360517  1
  N  N100  1  0.11628297  0.82448422  0.04360286  1
  N  N101  1  0.61628210  0.67551641  0.45639562  1
  N  N102  1  0.18129406  0.13803423  0.01435128  1
  N  N103  1  0.68129367  0.36196439  0.48564434  1
  N  N104  1  0.81870566  0.86196557  0.98564885  1
  N  N105  1  0.31870694  0.63803618  0.51435662  1
  N  N106  1  0.62910496  0.29478420  0.89101396  1
  N  N107  1  0.12910814  0.20521105  0.60898776  1
  N  N108  1  0.37089544  0.70521635  0.10898658  1
  N  N109  1  0.87089203  0.79478862  0.39101140  1
  O  O110  1  0.04882535  0.92083515  0.87084227  1
  O  O111  1  0.54883128  0.57916073  0.62915728  1
  O  O112  1  0.95117340  0.07916312  0.12915758  1
  O  O113  1  0.45116835  0.42084041  0.37084402  1
  O  O114  1  0.01372879  0.97567988  0.67199355  1
  O  O115  1  0.51372808  0.52431491  0.82800636  1
  O  O116  1  0.98627237  0.02432414  0.32800722  1
  O  O117  1  0.48627169  0.47568448  0.17199439  1
  O  O118  1  0.89323552  0.40541061  0.61570085  1
  O  O119  1  0.39324061  0.09457660  0.88430503  1
  O  O120  1  0.10676421  0.59459001  0.38430260  1
  O  O121  1  0.60675573  0.90542371  0.11568962  1
  O  O122  1  0.03408233  0.69437788  0.68011150  1
  O  O123  1  0.53408763  0.80561582  0.81988722  1
  O  O124  1  0.96591003  0.30562459  0.31988466  1
  O  O125  1  0.46590954  0.19438540  0.18011527  1
  O  O126  1  0.27442245  0.85709990  0.70870039  1
  O  O127  1  0.77442434  0.64289145  0.79130380  1
  O  O128  1  0.72557519  0.14289592  0.29129992  1
  O  O129  1  0.22557395  0.35710978  0.20869670  1
  O  O130  1  0.03863740  0.49340728  0.84047608  1
  O  O131  1  0.53863104  1.00658984  0.65952512  1
  O  O132  1  0.96137164  0.50660144  0.15952441  1
  O  O133  1  0.46137131  -0.00659642  0.34047234  1
