# generated using pymatgen
data_V3H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86859389
_cell_length_b   10.86297722
_cell_length_c   10.85273817
_cell_angle_alpha   89.24885413
_cell_angle_beta   89.04557438
_cell_angle_gamma   63.77391822
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3H8C14(NO)6
_chemical_formula_sum   'V6 H16 C28 N12 O12'
_cell_volume   1149.24483740
_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  0.90930871  0.09104685  0.25007424  1
  V  V1  1  0.09068873  0.90895695  0.74992407  1
  V  V2  1  0.85327666  0.98543813  -0.00127308  1
  V  V3  1  0.01415904  0.14698140  0.50167891  1
  V  V4  1  0.14672578  0.01456106  1.00127157  1
  V  V5  1  0.98583927  0.85302339  0.49832220  1
  H  H6  1  0.53665001  0.16885994  0.41446353  1
  H  H7  1  0.82988680  0.46388225  0.08662402  1
  H  H8  1  0.46335220  0.83112953  0.58554062  1
  H  H9  1  0.17011838  0.53611890  0.91337254  1
  H  H10  1  0.33330319  0.15560210  0.51250163  1
  H  H11  1  0.84233887  0.66727076  0.98834849  1
  H  H12  1  0.66669298  0.84439669  0.48749921  1
  H  H13  1  0.15766817  0.33273076  0.01165026  1
  H  H14  1  0.42516125  0.07386753  0.05771976  1
  H  H15  1  0.92958968  0.57468796  0.44171905  1
  H  H16  1  0.57484054  0.92612927  0.94228215  1
  H  H17  1  0.07040262  0.42531716  0.55828181  1
  H  H18  1  0.87461374  0.21505814  0.03717900  1
  H  H19  1  0.78520068  0.12515262  0.46328241  1
  H  H20  1  0.12538806  0.78494038  0.96281667  1
  H  H21  1  0.21479752  0.87485199  0.53671636  1
  C  C22  1  0.62410203  0.11734145  0.17563866  1
  C  C23  1  0.88336486  0.37619571  0.32482198  1
  C  C24  1  0.37590015  0.88265030  0.82436436  1
  C  C25  1  0.11663169  0.62380786  0.67517611  1
  C  C26  1  0.49779187  0.11737130  0.23044856  1
  C  C27  1  0.88348889  0.50235577  0.26987675  1
  C  C28  1  0.50221076  0.88262013  0.76955493  1
  C  C29  1  0.11650998  0.49764734  0.73012215  1
  C  C30  1  0.46871777  0.14340629  0.35854483  1
  C  C31  1  0.85614660  0.53161349  0.14217614  1
  C  C32  1  0.53128293  0.85658621  0.64145837  1
  C  C33  1  0.14385622  0.46838857  0.85782182  1
  C  C34  1  0.35526326  0.13755248  0.41429934  1
  C  C35  1  0.86155048  0.64509423  0.08621488  1
  C  C36  1  0.64473506  0.86244417  0.58570220  1
  C  C37  1  0.13845503  0.35490641  0.91378386  1
  C  C38  1  0.26856154  0.10633045  0.33983844  1
  C  C39  1  0.89373455  0.73170721  0.16004824  1
  C  C40  1  0.73143623  0.89366840  0.66016129  1
  C  C41  1  0.10627082  0.26829256  0.83995179  1
  C  C42  1  0.29387693  0.08401920  0.21288211  1
  C  C43  1  0.91773309  0.70598963  0.28659951  1
  C  C44  1  0.70612254  0.91597968  0.78711768  1
  C  C45  1  0.08226592  0.29401300  0.71340120  1
  C  C46  1  0.40795092  0.09004252  0.15632425  1
  C  C47  1  0.91210641  0.59191917  0.34339178  1
  C  C48  1  0.59205083  0.90995248  0.84367759  1
  C  C49  1  0.08788943  0.40808482  0.65660854  1
  N  N50  1  0.15156470  0.09207547  0.36750592  1
  N  N51  1  0.90732634  0.84901659  0.13237258  1
  N  N52  1  0.84842915  0.90792956  0.63249123  1
  N  N53  1  0.09268322  0.15098050  0.86762639  1
  N  N54  1  0.10680625  0.05574198  0.26278141  1
  N  N55  1  0.94519670  0.89341771  0.23640844  1
  N  N56  1  0.89318954  0.94426209  0.73721487  1
  N  N57  1  0.05480656  0.10658252  0.76359268  1
  N  N58  1  0.19021967  0.05748234  0.16637863  1
  N  N59  1  0.94480946  0.80957413  0.33275936  1
  N  N60  1  0.80977789  0.94252136  0.83361976  1
  N  N61  1  0.05518625  0.19043035  0.66724184  1
  O  O62  1  0.92676775  0.11703293  0.05643965  1
  O  O63  1  0.88325162  0.07311627  0.44382728  1
  O  O64  1  0.07323365  0.88296584  0.94355661  1
  O  O65  1  0.11674699  0.92688790  0.55617332  1
  O  O66  1  0.70013805  0.14651349  0.24711947  1
  O  O67  1  0.85347974  0.30029709  0.25362654  1
  O  O68  1  0.29986087  0.85348375  0.75288188  1
  O  O69  1  0.14651714  0.69970695  0.74637105  1
  O  O70  1  0.65214027  0.08623649  0.06111055  1
  O  O71  1  0.91501527  0.34807996  0.43897222  1
  O  O72  1  0.34786431  0.91374934  0.93889333  1
  O  O73  1  0.08497945  0.65192361  0.56102659  1
