# generated using pymatgen
data_VCrNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86143654
_cell_length_b   10.85585597
_cell_length_c   10.85048383
_cell_angle_alpha   89.24624656
_cell_angle_beta   89.04171160
_cell_angle_gamma   63.79733371
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrNiH8C14(NO)6
_chemical_formula_sum   'V2 Cr2 Ni2 H16 C28 N12 O12'
_cell_volume   1147.72617926
_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  0.90396838  0.09460887  0.24674901  1
  Cr  Cr1  1  0.09602982  0.90539421  0.75324901  1
  Ni  Ni2  1  0.85410658  0.98261094  -0.00572652  1
  V  V3  1  0.01320976  0.14658506  0.50149180  1
  Ni  Ni4  1  0.14589690  0.01738635  1.00572452  1
  V  V5  1  0.98678678  0.85341937  0.49850811  1
  H  H6  1  0.53697560  0.16819274  0.41435232  1
  H  H7  1  0.83105543  0.46451456  0.08596767  1
  H  H8  1  0.46302651  0.83179699  0.58565287  1
  H  H9  1  0.16894987  0.53548698  0.91402948  1
  H  H10  1  0.33330680  0.15504154  0.51242684  1
  H  H11  1  0.84295460  0.66836516  0.98900039  1
  H  H12  1  0.66668834  0.84495738  0.48757408  1
  H  H13  1  0.15705220  0.33163657  0.01099821  1
  H  H14  1  0.42479161  0.07362110  0.05820497  1
  H  H15  1  0.92984673  0.57468371  0.44180729  1
  H  H16  1  0.57521121  0.92637620  0.94179711  1
  H  H17  1  0.07014570  0.42532217  0.55819356  1
  H  H18  1  0.87702899  0.20762006  0.04212174  1
  H  H19  1  0.78903587  0.12265234  0.45861821  1
  H  H20  1  0.12297192  0.79238205  0.95787704  1
  H  H21  1  0.21096176  0.87735216  0.54137951  1
  C  C22  1  0.62584190  0.11643290  0.17502814  1
  C  C23  1  0.88400401  0.37540790  0.32443182  1
  C  C24  1  0.37416026  0.88355733  0.82497487  1
  C  C25  1  0.11599214  0.62459561  0.67556587  1
  C  C26  1  0.49743095  0.11735860  0.23030094  1
  C  C27  1  0.88379597  0.50239262  0.26975315  1
  C  C28  1  0.50257121  0.88263319  0.76970309  1
  C  C29  1  0.11620288  0.49761066  0.73024599  1
  C  C30  1  0.46867066  0.14336780  0.35812846  1
  C  C31  1  0.85649841  0.53262753  0.14219179  1
  C  C32  1  0.53133070  0.85662439  0.64187514  1
  C  C33  1  0.14350493  0.46737446  0.85780657  1
  C  C34  1  0.35491048  0.13739823  0.41411109  1
  C  C35  1  0.86201856  0.64666762  0.08696910  1
  C  C36  1  0.64508756  0.86259833  0.58589023  1
  C  C37  1  0.13798683  0.35333384  0.91302958  1
  C  C38  1  0.26821085  0.10649507  0.34001960  1
  C  C39  1  0.89395942  0.73393823  0.16068075  1
  C  C40  1  0.73178668  0.89350348  0.65998006  1
  C  C41  1  0.10604555  0.26606264  0.83931881  1
  C  C42  1  0.29310487  0.08317514  0.21309473  1
  C  C43  1  0.91766874  0.70653687  0.28724148  1
  C  C44  1  0.70689517  0.91682203  0.78690515  1
  C  C45  1  0.08232959  0.29346720  0.71275937  1
  C  C46  1  0.40746207  0.08996352  0.15676621  1
  C  C47  1  0.91213740  0.59208414  0.34347147  1
  C  C48  1  0.59254012  0.91003125  0.84323573  1
  C  C49  1  0.08785873  0.40792032  0.65652896  1
  N  N50  1  0.15145164  0.09116408  0.36665222  1
  N  N51  1  0.91055558  0.85012986  0.13359466  1
  N  N52  1  0.84854268  0.90883994  0.63334530  1
  N  N53  1  0.08945482  0.14986810  0.86640422  1
  N  N54  1  0.10777373  0.05614303  0.26082254  1
  N  N55  1  0.94499608  0.89307389  0.23650068  1
  N  N56  1  0.89222157  0.94386215  0.73917510  1
  N  N57  1  0.05500876  0.10692647  0.76349968  1
  N  N58  1  0.19035713  0.05496151  0.16748140  1
  N  N59  1  0.94543246  0.80949402  0.33309353  1
  N  N60  1  0.80964069  0.94504004  0.83251731  1
  N  N61  1  0.05456564  0.19050964  0.66690795  1
  O  O62  1  0.92513370  0.11140416  0.06713365  1
  O  O63  1  0.88641553  0.07115592  0.43718677  1
  O  O64  1  0.07486548  0.88859716  0.93286388  1
  O  O65  1  0.11358232  0.92884814  0.56281232  1
  O  O66  1  0.70107654  0.14549992  0.24881274  1
  O  O67  1  0.85364335  0.29981109  0.25362919  1
  O  O68  1  0.29892337  0.85449689  0.75118687  1
  O  O69  1  0.14635294  0.70019318  0.74636655  1
  O  O70  1  0.65318872  0.08557093  0.06235200  1
  O  O71  1  0.91528417  0.34830740  0.43865248  1
  O  O72  1  0.34681566  0.91441197  0.93765240  1
  O  O73  1  0.08470991  0.65169592  0.56134559  1
