# generated using pymatgen
data_VCr2Fe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37012950
_cell_length_b   9.72407722
_cell_length_c   13.66649701
_cell_angle_alpha   103.41456505
_cell_angle_beta   90.00000625
_cell_angle_gamma   90.00012817
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Fe2H32C12(NO2)6
_chemical_formula_sum   'V2 Cr4 Fe4 H64 C24 N12 O24'
_cell_volume   1211.26084706
_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  0.09285062  0.86512779  0.73285569  1
  Cr  Cr1  1  0.59285337  0.63486795  0.76714414  1
  Cr  Cr2  1  0.90714874  0.13487427  0.26714440  1
  Cr  Cr3  1  0.40714686  0.36513048  0.23285605  1
  Fe  Fe4  1  0.94411538  0.55304484  0.72698309  1
  Fe  Fe5  1  0.44411513  0.94694896  0.77301720  1
  Fe  Fe6  1  0.05588424  0.44695560  0.27301513  1
  Fe  Fe7  1  0.55588351  0.05305064  0.22698365  1
  V  V8  1  -0.00000027  1.00000026  1.00000010  1
  V  V9  1  0.50000039  0.49999981  0.50000008  1
  H  H10  1  0.19811664  0.19526912  0.08721151  1
  H  H11  1  0.69811622  0.30473096  0.41278661  1
  H  H12  1  0.80188348  0.80473223  0.91278912  1
  H  H13  1  0.30188498  0.69526871  0.58721342  1
  H  H14  1  0.28140174  0.10016728  0.98556931  1
  H  H15  1  0.78140269  0.39983182  0.51442876  1
  H  H16  1  0.71859791  0.89983469  0.01443074  1
  H  H17  1  0.21859825  0.60016720  0.48557173  1
  H  H18  1  0.58206325  0.37871269  0.86862604  1
  H  H19  1  0.08206686  0.12128170  0.63137475  1
  H  H20  1  0.41793678  0.62128901  0.13137478  1
  H  H21  1  0.91793304  0.87871772  0.36862410  1
  H  H22  1  0.48102498  0.16948504  0.89029000  1
  H  H23  1  -0.01897730  0.33050753  0.60971345  1
  H  H24  1  0.51897124  0.83051757  0.10971024  1
  H  H25  1  1.01897494  0.66949029  0.39028523  1
  H  H26  1  0.76333653  0.02972295  0.84914186  1
  H  H27  1  0.26333616  0.47027446  0.65086079  1
  H  H28  1  0.23666485  0.97027775  0.15085603  1
  H  H29  1  0.73666594  0.52972410  0.34914263  1
  H  H30  1  0.91738763  0.09538942  0.80019967  1
  H  H31  1  0.41738833  0.40460981  0.69980235  1
  H  H32  1  0.08261440  0.90461523  0.19980137  1
  H  H33  1  0.58261448  0.59538516  0.30019782  1
  H  H34  1  0.20750488  0.33286320  0.97053314  1
  H  H35  1  0.70750478  0.16713739  0.52946501  1
  H  H36  1  0.79249348  0.66713885  0.02946765  1
  H  H37  1  0.29249483  0.83286152  0.47053434  1
  H  H38  1  0.16846739  0.18443132  0.87273519  1
  H  H39  1  0.66847047  0.31556925  0.62726326  1
  H  H40  1  0.83153113  0.81557057  0.12726558  1
  H  H41  1  0.33152926  0.68442899  0.37273676  1
  H  H42  1  0.58307067  0.36518191  0.04292913  1
  H  H43  1  0.08307221  0.13481490  0.45707257  1
  H  H44  1  0.41692743  0.63481855  0.95707143  1
  H  H45  1  0.91692657  0.86518671  0.54292665  1
  H  H46  1  0.74130020  0.43828948  0.00769616  1
  H  H47  1  0.24130330  0.06170941  0.49230485  1
  H  H48  1  0.25869850  0.56171072  0.99230603  1
  H  H49  1  0.75869540  0.93829106  0.50769301  1
  H  H50  1  0.79620860  0.26151851  0.10322208  1
  H  H51  1  0.29620844  0.23848254  0.39677986  1
  H  H52  1  0.20378866  0.73848020  0.89677837  1
  H  H53  1  0.70379084  0.76151931  0.60322024  1
  H  H54  1  0.69163126  0.13102174  0.02247454  1
  H  H55  1  0.19163082  0.36897775  0.47752802  1
  H  H56  1  0.30836709  0.86897786  0.97752464  1
  H  H57  1  0.80836955  0.63102379  0.52247266  1
  H  H58  1  0.81337754  0.32256043  0.80490175  1
  H  H59  1  0.31338117  0.17743660  0.69509941  1
  H  H60  1  0.18662327  0.67744354  0.19510117  1
  H  H61  1  0.68662111  0.82255649  0.30489592  1
  H  H62  1  0.69199197  0.18822467  0.74758157  1
  H  H63  1  0.19199483  0.31177048  0.75242024  1
  H  H64  1  0.30800994  0.81177994  0.25241865  1
  H  H65  1  0.80800991  0.68822172  0.24758005  1
  H  H66  1  0.96334769  0.42479152  0.10876651  1
  H  H67  1  0.46334799  0.07520953  0.39123178  1
  H  H68  1  0.03665492  0.57520443  0.89122966  1
  H  H69  1  0.53665225  0.92479278  0.60877019  1
  H  H70  1  0.96220753  0.37239278  0.93403461  1
  H  H71  1  0.46221049  0.12760791  0.56596615  1
  H  H72  1  0.03779019  0.62760771  0.06596545  1
  H  H73  1  0.53778948  0.87239125  0.43403291  1
  C  C74  1  0.82787565  0.12467885  0.85225272  1
  C  C75  1  0.32787643  0.37531932  0.64774929  1
  C  C76  1  0.17212486  0.87532310  0.14774737  1
  C  C77  1  0.67212532  0.62467808  0.35225151  1
  C  C78  1  0.14186149  0.23659749  0.95120102  1
  C  C79  1  0.64186226  0.26340339  0.54879780  1
  C  C80  1  0.85813774  0.76340438  0.04879976  1
  C  C81  1  0.35813799  0.73659566  0.45120194  1
  C  C82  1  0.67688233  0.34040677  0.99417141  1
  C  C83  1  0.17688422  0.15959118  0.50583010  1
  C  C84  1  0.32311610  0.65959354  0.00582946  1
  C  C85  1  0.82311476  0.84040954  0.49416902  1
  C  C86  1  0.75914082  0.22373953  0.02577238  1
  C  C87  1  0.25914082  0.27626043  0.47422964  1
  C  C88  1  0.24085758  0.77626024  0.97422765  1
  C  C89  1  0.74085903  0.72374070  0.52577068  1
  C  C90  1  0.74234388  0.23854366  0.81944719  1
  C  C91  1  0.24234657  0.26145270  0.68055442  1
  C  C92  1  0.25765676  0.76145922  0.18055386  1
  C  C93  1  0.75765586  0.73854268  0.31944444  1
  C  C94  1  0.99164082  0.27907503  0.96269080  1
  C  C95  1  0.49164134  0.22092559  0.53730959  1
  C  C96  1  0.00835800  0.72092637  0.03731018  1
  C  C97  1  0.50835879  0.77907365  0.46268959  1
  N  N98  1  0.88319901  0.17408709  0.95776562  1
  N  N99  1  0.38319933  0.32591320  0.54223616  1
  N  N100  1  0.11680018  0.82591372  0.04223481  1
  N  N101  1  0.61680102  0.67408651  0.45776417  1
  N  N102  1  0.18206949  0.13758897  0.01447208  1
  N  N103  1  0.68207002  0.36241139  0.48552609  1
  N  N104  1  0.81793014  0.86241261  0.98552844  1
  N  N105  1  0.31793077  0.63758801  0.51447399  1
  N  N106  1  0.63003785  0.29510227  0.89058214  1
  N  N107  1  0.13004020  0.20489365  0.60941954  1
  N  N108  1  0.36996162  0.70489900  0.10941839  1
  N  N109  1  0.86995991  0.79510619  0.39057994  1
  O  O110  1  0.04845754  0.92062182  0.87030025  1
  O  O111  1  0.54846147  0.57937714  0.62969926  1
  O  O112  1  0.95154185  0.07937817  0.12970014  1
  O  O113  1  0.45153946  0.42062217  0.37030060  1
  O  O114  1  0.01902324  0.98113606  0.67713182  1
  O  O115  1  0.51902268  0.51885991  0.82286704  1
  O  O116  1  0.98097809  0.01886816  0.32286926  1
  O  O117  1  0.48097511  0.48113986  0.17713335  1
  O  O118  1  0.90219659  0.40133455  0.61845910  1
  O  O119  1  0.40219874  0.09865763  0.88154266  1
  O  O120  1  0.09780248  0.59866491  0.38153958  1
  O  O121  1  0.59779825  0.90134406  0.11845669  1
  O  O122  1  0.03320838  0.69674825  0.67489488  1
  O  O123  1  0.53321286  0.80324784  0.82510459  1
  O  O124  1  0.96678731  0.30325535  0.32510437  1
  O  O125  1  0.46678861  0.19675164  0.17489436  1
  O  O126  1  0.27699529  0.85340412  0.71118426  1
  O  O127  1  0.77699723  0.64658939  0.78881847  1
  O  O128  1  0.72300408  0.14659462  0.28881557  1
  O  O129  1  0.22300277  0.35340743  0.21118381  1
  O  O130  1  0.04868854  0.50011578  0.83004537  1
  O  O131  1  0.54868449  0.99988132  0.66995471  1
  O  O132  1  0.95131744  0.49988323  0.16994948  1
  O  O133  1  0.45131481  0.00012072  0.33004747  1
