# generated using pymatgen
data_VCrFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86546729
_cell_length_b   10.85938907
_cell_length_c   10.85971989
_cell_angle_alpha   89.22700753
_cell_angle_beta   89.03278695
_cell_angle_gamma   63.78703850
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrFeH8C14(NO)6
_chemical_formula_sum   'V2 Cr2 Fe2 H16 C28 N12 O12'
_cell_volume   1149.39651318
_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  0.90599694  0.09450401  0.25194247  1
  Cr  Cr1  1  0.09400157  0.90549947  0.74805614  1
  V  V2  1  0.85344742  0.98738610  -0.00142569  1
  Fe  Fe3  1  0.00986605  0.14578996  0.50778563  1
  V  V4  1  0.14655508  0.01261241  1.00142583  1
  Fe  Fe5  1  0.99013079  0.85421490  0.49221411  1
  H  H6  1  0.53600323  0.16813468  0.41437028  1
  H  H7  1  0.82975827  0.46291470  0.08594744  1
  H  H8  1  0.46399953  0.83185472  0.58563374  1
  H  H9  1  0.17024697  0.53708625  0.91404924  1
  H  H10  1  0.33200596  0.15486428  0.51092288  1
  H  H11  1  0.84174944  0.66595912  0.98617383  1
  H  H12  1  0.66799049  0.84513462  0.48907835  1
  H  H13  1  0.15825755  0.33404190  0.01382441  1
  H  H14  1  0.42670115  0.07455160  0.05657424  1
  H  H15  1  0.92933269  0.57595442  0.43960143  1
  H  H16  1  0.57330067  0.92544518  0.94342751  1
  H  H17  1  0.07065966  0.42405154  0.56039925  1
  H  H18  1  0.87691789  0.21190015  0.04124875  1
  H  H19  1  0.78697543  0.12172080  0.45585980  1
  H  H20  1  0.12308244  0.78810105  0.95874875  1
  H  H21  1  0.21302225  0.87828381  0.54413682  1
  C  C22  1  0.62470251  0.11738167  0.17564855  1
  C  C23  1  0.88381283  0.37536624  0.32480868  1
  C  C24  1  0.37530003  0.88260926  0.82435357  1
  C  C25  1  0.11618369  0.62463764  0.67518952  1
  C  C26  1  0.49814488  0.11736470  0.23006630  1
  C  C27  1  0.88273802  0.50276639  0.26882340  1
  C  C28  1  0.50185810  0.88262617  0.76993661  1
  C  C29  1  0.11726066  0.49723709  0.73117499  1
  C  C30  1  0.46811227  0.14309682  0.35807549  1
  C  C31  1  0.85556357  0.53112114  0.14123401  1
  C  C32  1  0.53188900  0.85689574  0.64192751  1
  C  C33  1  0.14443916  0.46888087  0.85876401  1
  C  C34  1  0.35437423  0.13665827  0.41286821  1
  C  C35  1  0.86079237  0.64442674  0.08409285  1
  C  C36  1  0.64562419  0.86333846  0.58713346  1
  C  C37  1  0.13921316  0.35557413  0.91590564  1
  C  C38  1  0.26866578  0.10497377  0.33751345  1
  C  C39  1  0.89288569  0.73128973  0.15662568  1
  C  C40  1  0.73133235  0.89502512  0.66248717  1
  C  C41  1  0.10711893  0.26871026  0.84337392  1
  C  C42  1  0.29435325  0.08469703  0.21053067  1
  C  C43  1  0.91779536  0.70617447  0.28297989  1
  C  C44  1  0.70564560  0.91530110  0.78947057  1
  C  C45  1  0.08220370  0.29382833  0.71702026  1
  C  C46  1  0.40867976  0.09043923  0.15503866  1
  C  C47  1  0.91157701  0.59257990  0.34120496  1
  C  C48  1  0.59132186  0.90955529  0.84496307  1
  C  C49  1  0.08841858  0.40742434  0.65879495  1
  N  N50  1  0.15421489  0.08522335  0.36464833  1
  N  N51  1  0.90821751  0.84804444  0.12869777  1
  N  N52  1  0.84577972  0.91478143  0.63535058  1
  N  N53  1  0.09179238  0.15195324  0.87130214  1
  N  N54  1  0.10880282  0.05379630  0.26164187  1
  N  N55  1  0.94551519  0.89211775  0.23310394  1
  N  N56  1  0.89119214  0.94620875  0.73835599  1
  N  N57  1  0.05448933  0.10788209  0.76689679  1
  N  N58  1  0.19097668  0.05750044  0.16453594  1
  N  N59  1  0.94805291  0.80773923  0.32664918  1
  N  N60  1  0.80902150  0.94250056  0.83546375  1
  N  N61  1  0.05194455  0.19226447  0.67335201  1
  O  O62  1  0.92804666  0.11465113  0.06317246  1
  O  O63  1  0.88380081  0.07206053  0.43291087  1
  O  O64  1  0.07195235  0.88535028  0.93682430  1
  O  O65  1  0.11619780  0.92794349  0.56708810  1
  O  O66  1  0.70078450  0.14698121  0.24640179  1
  O  O67  1  0.85425644  0.29926423  0.25255594  1
  O  O68  1  0.29921597  0.85301462  0.75359850  1
  O  O69  1  0.14574016  0.70074011  0.74744141  1
  O  O70  1  0.65177438  0.08687847  0.06112616  1
  O  O71  1  0.91575366  0.34836202  0.43709691  1
  O  O72  1  0.34822954  0.91310669  0.93887696  1
  O  O73  1  0.08424063  0.65164238  0.56290149  1
