# generated using pymatgen
data_VCrNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86529984
_cell_length_b   10.85572336
_cell_length_c   10.86722896
_cell_angle_alpha   89.08769819
_cell_angle_beta   88.95214757
_cell_angle_gamma   63.75345590
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrNiH8C14(NO)6
_chemical_formula_sum   'V2 Cr2 Ni2 H16 C28 N12 O12'
_cell_volume   1149.40698873
_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  0.90529422  0.09192665  0.24263191  1
  V  V1  1  0.09470354  0.90807623  0.75736750  1
  Ni  Ni2  1  0.85504596  0.97911994  -0.00497901  1
  Cr  Cr3  1  0.01169612  0.14481782  0.50622663  1
  Ni  Ni4  1  0.14495549  0.02087835  1.00497921  1
  Cr  Cr5  1  0.98829920  0.85518601  0.49377407  1
  H  H6  1  0.53671748  0.16913608  0.41325879  1
  H  H7  1  0.83072532  0.45905973  0.08908963  1
  H  H8  1  0.46328612  0.83085371  0.58674394  1
  H  H9  1  0.16927908  0.54094163  0.91090717  1
  H  H10  1  0.33251560  0.15634956  0.51044338  1
  H  H11  1  0.84097324  0.66283369  0.99002418  1
  H  H12  1  0.66748338  0.84364828  0.48955735  1
  H  H13  1  0.15903525  0.33716656  0.00997391  1
  H  H14  1  0.42563767  0.07516633  0.05726850  1
  H  H15  1  0.92740790  0.57395260  0.44301490  1
  H  H16  1  0.57436430  0.92482804  0.94273292  1
  H  H17  1  0.07258323  0.42605221  0.55698565  1
  H  H18  1  0.87076002  0.20831712  0.03145308  1
  H  H19  1  0.79419920  0.10495986  0.46135117  1
  H  H20  1  0.12923896  0.79168364  0.96854616  1
  H  H21  1  0.20579541  0.89504460  0.53864562  1
  C  C22  1  0.62565480  0.11578407  0.17390733  1
  C  C23  1  0.88740570  0.37009526  0.32743820  1
  C  C24  1  0.37434613  0.88421143  0.82609430  1
  C  C25  1  0.11259035  0.62990815  0.67256027  1
  C  C26  1  0.49783127  0.11768848  0.22962859  1
  C  C27  1  0.88432882  0.49790280  0.27210209  1
  C  C28  1  0.50217044  0.88230555  0.77037325  1
  C  C29  1  0.11566876  0.50210052  0.72789681  1
  C  C30  1  0.46867047  0.14397289  0.35727878  1
  C  C31  1  0.85635287  0.52731520  0.14442422  1
  C  C32  1  0.53133172  0.85601955  0.64272330  1
  C  C33  1  0.14364993  0.47268630  0.85557384  1
  C  C34  1  0.35493236  0.13746903  0.41256637  1
  C  C35  1  0.86128718  0.64103397  0.08764817  1
  C  C36  1  0.64506748  0.86252735  0.58743470  1
  C  C37  1  0.13871824  0.35896666  0.91235029  1
  C  C38  1  0.26975214  0.10478859  0.33834489  1
  C  C39  1  0.89351138  0.72837665  0.15984592  1
  C  C40  1  0.73024577  0.89521115  0.66165548  1
  C  C41  1  0.10649462  0.27162260  0.84015382  1
  C  C42  1  0.29479988  0.08289964  0.21163965  1
  C  C43  1  0.91517895  0.70297561  0.28651548  1
  C  C44  1  0.70520019  0.91709841  0.78836108  1
  C  C45  1  0.08482063  0.29702660  0.71348510  1
  C  C46  1  0.40840208  0.09071383  0.15576285  1
  C  C47  1  0.91049047  0.58937294  0.34466058  1
  C  C48  1  0.59159972  0.90928100  0.84423852  1
  C  C49  1  0.08950536  0.41063069  0.65533932  1
  N  N50  1  0.15696795  0.08315260  0.36601506  1
  N  N51  1  0.91397029  0.84240146  0.13119914  1
  N  N52  1  0.84302832  0.91684963  0.63398329  1
  N  N53  1  0.08604046  0.15759531  0.86880058  1
  N  N54  1  0.11212766  0.05150116  0.26080325  1
  N  N55  1  0.94642842  0.88632445  0.23437098  1
  N  N56  1  0.88786950  0.94850144  0.73919524  1
  N  N57  1  0.05357675  0.11367517  0.76562976  1
  N  N58  1  0.19412696  0.05118867  0.16685717  1
  N  N59  1  0.94425809  0.80442655  0.33030158  1
  N  N60  1  0.80587223  0.94881234  0.83314199  1
  N  N61  1  0.05574252  0.19557506  0.66969971  1
  O  O62  1  0.92296096  0.11434159  0.06219412  1
  O  O63  1  0.88948876  0.05952092  0.43193402  1
  O  O64  1  0.07703860  0.88565898  0.93780452  1
  O  O65  1  0.11050644  0.94048343  0.56806447  1
  O  O66  1  0.70124238  0.14471991  0.24716729  1
  O  O67  1  0.85429797  0.29598770  0.25794296  1
  O  O68  1  0.29875581  0.85528001  0.75283382  1
  O  O69  1  0.14569875  0.70401614  0.74205430  1
  O  O70  1  0.65409417  0.08294181  0.06187755  1
  O  O71  1  0.92428728  0.33906079  0.44024676  1
  O  O72  1  0.34590799  0.91705198  0.93812510  1
  O  O73  1  0.07570786  0.66094213  0.55975190  1
