# generated using pymatgen
data_V2Cr2FeH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36033615
_cell_length_b   9.71699940
_cell_length_c   13.67824383
_cell_angle_alpha   103.34206402
_cell_angle_beta   90.00000815
_cell_angle_gamma   90.00012995
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Cr2FeH32C12(NO2)6
_chemical_formula_sum   'V4 Cr4 Fe2 H64 C24 N12 O24'
_cell_volume   1210.51768995
_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  0.10307578  0.86228765  0.73270888  1
  V  V1  1  0.60307930  0.63770442  0.76729100  1
  V  V2  1  0.89692196  0.13771138  0.26729031  1
  V  V3  1  0.39692067  0.36229656  0.23270947  1
  Cr  Cr4  1  0.95510935  0.55006215  0.72052473  1
  Cr  Cr5  1  0.45510914  0.94992939  0.77947768  1
  Cr  Cr6  1  0.04489109  0.44993885  0.27947614  1
  Cr  Cr7  1  0.54488902  0.05007040  0.22052049  1
  Fe  Fe8  1  -0.00000042  1.00000001  0.99999975  1
  Fe  Fe9  1  0.50000042  0.49999985  0.50000054  1
  H  H10  1  0.19744840  0.19423426  0.08824204  1
  H  H11  1  0.69744438  0.30576597  0.41175533  1
  H  H12  1  0.80255117  0.80576638  0.91175784  1
  H  H13  1  0.30255816  0.69423599  0.58824695  1
  H  H14  1  0.28455277  0.10410458  0.98643995  1
  H  H15  1  0.78454969  0.39589563  0.51355595  1
  H  H16  1  0.71544666  0.89589509  0.01355997  1
  H  H17  1  0.21544995  0.60410675  0.48644733  1
  H  H18  1  0.57651830  0.37888932  0.86617205  1
  H  H19  1  0.07652275  0.12110115  0.63382967  1
  H  H20  1  0.42348144  0.62111195  0.13382858  1
  H  H21  1  0.92347657  0.87889904  0.36616917  1
  H  H22  1  0.54457897  0.21047780  0.88451308  1
  H  H23  1  0.04457924  0.28951184  0.61548939  1
  H  H24  1  0.45542000  0.78952319  0.11548654  1
  H  H25  1  0.95542105  0.71048892  0.38451136  1
  H  H26  1  0.77770676  0.03455657  0.84845278  1
  H  H27  1  0.27770562  0.46543922  0.65154984  1
  H  H28  1  0.22229305  0.96544397  0.15154566  1
  H  H29  1  0.72229566  0.53456006  0.34845268  1
  H  H30  1  0.92968784  0.11150594  0.80604023  1
  H  H31  1  0.42968795  0.38849096  0.69396174  1
  H  H32  1  0.07031100  0.88849535  0.19395820  1
  H  H33  1  0.57031281  0.61150695  0.30604042  1
  H  H34  1  0.21376156  0.33193190  0.96509881  1
  H  H35  1  0.71376241  0.16806872  0.53489971  1
  H  H36  1  0.78623860  0.66806727  0.03489929  1
  H  H37  1  0.28623847  0.83193066  0.46510088  1
  H  H38  1  0.14962780  0.18388888  0.87475364  1
  H  H39  1  0.64963057  0.31611340  0.62524486  1
  H  H40  1  0.85037185  0.81610887  0.12524621  1
  H  H41  1  0.35037036  0.68388475  0.37475674  1
  H  H42  1  0.57642150  0.36545243  0.04350983  1
  H  H43  1  0.07642361  0.13453935  0.45649210  1
  H  H44  1  0.42357789  0.63454638  0.95649029  1
  H  H45  1  0.92357554  0.86546420  0.54350725  1
  H  H46  1  0.73400350  0.43568024  0.00086373  1
  H  H47  1  0.23400715  0.06431544  0.49913756  1
  H  H48  1  0.26599554  0.56431940  0.99913711  1
  H  H49  1  0.76599105  0.93568554  0.50086094  1
  H  H50  1  0.79013980  0.26287507  0.10381409  1
  H  H51  1  0.29013814  0.23712499  0.39618748  1
  H  H52  1  0.20986056  0.73712383  0.89618490  1
  H  H53  1  0.70986411  0.76287660  0.60381344  1
  H  H54  1  0.68962852  0.12946626  0.02172967  1
  H  H55  1  0.18962540  0.37052918  0.47827427  1
  H  H56  1  0.31037235  0.87053269  0.97826936  1
  H  H57  1  0.81037705  0.62947288  0.52172663  1
  H  H58  1  0.80500186  0.33597216  0.81380863  1
  H  H59  1  0.30500462  0.16402398  0.68619374  1
  H  H60  1  0.19499702  0.66402924  0.18619107  1
  H  H61  1  0.69499524  0.83597356  0.31380460  1
  H  H62  1  0.70078747  0.19182049  0.74563499  1
  H  H63  1  0.20078867  0.30817417  0.75436668  1
  H  H64  1  0.29921124  0.80818106  0.25436494  1
  H  H65  1  0.79921170  0.69182205  0.24563391  1
  H  H66  1  0.98291342  0.35491880  0.05577738  1
  H  H67  1  0.48291109  0.14507946  0.44422395  1
  H  H68  1  0.01708686  0.64508155  0.94422122  1
  H  H69  1  0.51709006  0.85492141  0.55577688  1
  H  H70  1  0.96848344  0.36823958  0.92738729  1
  H  H71  1  0.46848432  0.13175981  0.57261505  1
  H  H72  1  0.03151704  0.63176058  0.07261145  1
  H  H73  1  0.53151672  0.86823897  0.42738500  1
  C  C74  1  0.83658848  0.13428473  0.85532326  1
  C  C75  1  0.33658840  0.36571193  0.64467867  1
  C  C76  1  0.16341053  0.86571642  0.14467576  1
  C  C77  1  0.66341142  0.63428701  0.35532301  1
  C  C78  1  0.14140630  0.24052914  0.95372258  1
  C  C79  1  0.64140632  0.25947058  0.54627623  1
  C  C80  1  0.85859371  0.75947023  0.04627661  1
  C  C81  1  0.35859450  0.74052884  0.45372509  1
  C  C82  1  0.67033427  0.33926206  0.99522159  1
  C  C83  1  0.17033677  0.16073152  0.50478029  1
  C  C84  1  0.32966568  0.66073741  0.00477821  1
  C  C85  1  0.82966368  0.83927044  0.49521953  1
  C  C86  1  0.75586579  0.22385465  0.02596620  1
  C  C87  1  0.25586462  0.27614204  0.47403587  1
  C  C88  1  0.24413469  0.77614467  0.97403320  1
  C  C89  1  0.74413649  0.72385918  0.52596507  1
  C  C90  1  0.74421915  0.24151697  0.81968320  1
  C  C91  1  0.24422071  0.25847747  0.68031865  1
  C  C92  1  0.25577971  0.75848442  0.18031649  1
  C  C93  1  0.75577962  0.74151999  0.31968130  1
  C  C94  1  0.99080923  0.29603686  0.97705327  1
  C  C95  1  0.49080829  0.20396187  0.52294762  1
  C  C96  1  0.00919060  0.70396322  0.02294499  1
  C  C97  1  0.50919261  0.79603836  0.47705365  1
  N  N98  1  0.88233449  0.18133947  0.96142151  1
  N  N99  1  0.38233385  0.31865893  0.53858049  1
  N  N100  1  0.11766538  0.81866117  0.03857741  1
  N  N101  1  0.61766774  0.68134129  0.46142121  1
  N  N102  1  0.18627784  0.14159118  0.01453500  1
  N  N103  1  0.68627462  0.35840776  0.48546218  1
  N  N104  1  0.81372194  0.85840922  0.98546480  1
  N  N105  1  0.31372572  0.64159258  0.51453974  1
  N  N106  1  0.62254723  0.29111188  0.88917555  1
  N  N107  1  0.12254936  0.20888072  0.61082617  1
  N  N108  1  0.37745222  0.70888906  0.11082433  1
  N  N109  1  0.87745047  0.79111971  0.38917341  1
  O  O110  1  0.05199898  0.90963559  0.85668794  1
  O  O111  1  0.55200559  0.59036010  0.64331183  1
  O  O112  1  0.94799972  0.09036546  0.14331139  1
  O  O113  1  0.44799425  0.40963897  0.35668881  1
  O  O114  1  0.04013761  0.98117033  0.67115441  1
  O  O115  1  0.54013736  0.51882136  0.82884476  1
  O  O116  1  0.95986343  0.01882957  0.32884494  1
  O  O117  1  0.45986336  0.48118020  0.17115622  1
  O  O118  1  0.92400179  0.41807675  0.61946035  1
  O  O119  1  0.42400497  0.08191139  0.88054419  1
  O  O120  1  0.07599706  0.58192117  0.38054292  1
  O  O121  1  0.57599273  0.91809071  0.11945254  1
  O  O122  1  0.03827785  0.69355047  0.67134521  1
  O  O123  1  0.53828127  0.80644061  0.82865439  1
  O  O124  1  0.96171781  0.30644970  0.32865324  1
  O  O125  1  0.46171543  0.19356017  0.17134484  1
  O  O126  1  0.29278462  0.85061012  0.72138066  1
  O  O127  1  0.79278772  0.64938173  0.77862337  1
  O  O128  1  0.70721336  0.14938732  0.27861831  1
  O  O129  1  0.20721233  0.35061846  0.22137728  1
  O  O130  1  0.05657191  0.51420750  0.81043937  1
  O  O131  1  0.55656621  0.98578916  0.68956183  1
  O  O132  1  0.94343192  0.48579745  0.18956097  1
  O  O133  1  0.44343398  0.01420765  0.31043620  1
