# generated using pymatgen
data_VCrFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86193174
_cell_length_b   10.85715040
_cell_length_c   10.86886617
_cell_angle_alpha   89.20282289
_cell_angle_beta   88.98420114
_cell_angle_gamma   63.79684439
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrFeH8C14(NO)6
_chemical_formula_sum   'V2 Cr2 Fe2 H16 C28 N12 O12'
_cell_volume   1149.83272412
_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  0.90638090  0.09409320  0.24898803  1
  Cr  Cr1  1  0.09361864  0.90590922  0.75100998  1
  Fe  Fe2  1  0.85545737  0.98735186  -0.00940170  1
  V  V3  1  0.01302759  0.14604513  0.50156313  1
  Fe  Fe4  1  0.14454322  0.01264479  1.00940196  1
  V  V5  1  0.98696919  0.85395947  0.49843743  1
  H  H6  1  0.53915876  0.17018607  0.41484974  1
  H  H7  1  0.83024404  0.46427347  0.08724159  1
  H  H8  1  0.46084474  0.82980364  0.58515418  1
  H  H9  1  0.16976051  0.53572741  0.91275539  1
  H  H10  1  0.33663352  0.15774523  0.51593198  1
  H  H11  1  0.84304170  0.66871362  0.99102264  1
  H  H12  1  0.66336412  0.84225292  0.48406949  1
  H  H13  1  0.15696634  0.33128598  0.00897533  1
  H  H14  1  0.42292870  0.07472352  0.06164647  1
  H  H15  1  0.92683160  0.57362369  0.44346585  1
  H  H16  1  0.57707306  0.92527161  0.93835549  1
  H  H17  1  0.07315974  0.42638213  0.55653458  1
  H  H18  1  0.87853349  0.21319598  0.04543719  1
  H  H19  1  0.78864210  0.12323346  0.46149575  1
  H  H20  1  0.12146633  0.78680421  0.95455962  1
  H  H21  1  0.21135622  0.87677033  0.53849918  1
  C  C22  1  0.62587154  0.11617780  0.17590537  1
  C  C23  1  0.88294718  0.37543449  0.32560856  1
  C  C24  1  0.37413079  0.88381478  0.82409784  1
  C  C25  1  0.11704903  0.62456954  0.67438969  1
  C  C26  1  0.49789566  0.11838714  0.23246996  1
  C  C27  1  0.88306031  0.50205359  0.27067523  1
  C  C28  1  0.50210585  0.88160636  0.76753304  1
  C  C29  1  0.11693760  0.49794983  0.72932343  1
  C  C30  1  0.47025064  0.14490400  0.36023124  1
  C  C31  1  0.85643269  0.53187592  0.14315142  1
  C  C32  1  0.52975111  0.85508878  0.63977203  1
  C  C33  1  0.14356978  0.46812548  0.85684667  1
  C  C34  1  0.35719089  0.13915327  0.41775701  1
  C  C35  1  0.86296720  0.64559116  0.08848255  1
  C  C36  1  0.64280822  0.86084347  0.58224445  1
  C  C37  1  0.13703830  0.35440917  0.91151587  1
  C  C38  1  0.26979093  0.10755085  0.34529234  1
  C  C39  1  0.89596751  0.73113252  0.16310618  1
  C  C40  1  0.73020644  0.89244901  0.65470834  1
  C  C41  1  0.10403777  0.26886755  0.83689290  1
  C  C42  1  0.29395924  0.08394353  0.21851732  1
  C  C43  1  0.91650563  0.70583391  0.28999397  1
  C  C44  1  0.70603962  0.91605536  0.78148341  1
  C  C45  1  0.08349381  0.29416868  0.71000616  1
  C  C46  1  0.40706333  0.09115578  0.16018136  1
  C  C47  1  0.91056046  0.59157281  0.34522334  1
  C  C48  1  0.59293765  0.90883936  0.83982068  1
  C  C49  1  0.08943481  0.40843169  0.65477649  1
  N  N50  1  0.15415458  0.09059079  0.37351136  1
  N  N51  1  0.91719486  0.84465364  0.13538418  1
  N  N52  1  0.84584064  0.90941282  0.62648827  1
  N  N53  1  0.08281620  0.15534323  0.86461498  1
  N  N54  1  0.10941048  0.05362831  0.26880148  1
  N  N55  1  0.94951728  0.89008434  0.23772958  1
  N  N56  1  0.89058527  0.94637606  0.73119806  1
  N  N57  1  0.05048692  0.10991563  0.76227083  1
  N  N58  1  0.19317313  0.05220532  0.17519014  1
  N  N59  1  0.94506111  0.80894954  0.33507833  1
  N  N60  1  0.80682375  0.94779710  0.82480930  1
  N  N61  1  0.05493914  0.19105272  0.66492221  1
  O  O62  1  0.92795602  0.11632419  0.06803316  1
  O  O63  1  0.88533833  0.07162584  0.43745003  1
  O  O64  1  0.07204306  0.88367630  0.93196500  1
  O  O65  1  0.11466035  0.92837744  0.56254679  1
  O  O66  1  0.70226964  0.14524273  0.24776908  1
  O  O67  1  0.85303427  0.29940046  0.25498856  1
  O  O68  1  0.29772991  0.85475531  0.75223212  1
  O  O69  1  0.14696301  0.70060357  0.74500898  1
  O  O70  1  0.65272009  0.08377480  0.06352325  1
  O  O71  1  0.91368968  0.34842114  0.43958059  1
  O  O72  1  0.34728228  0.91621543  0.93648031  1
  O  O73  1  0.08630460  0.65158329  0.56041773  1
