# generated using pymatgen
data_VCrNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86094504
_cell_length_b   10.85567991
_cell_length_c   10.85074669
_cell_angle_alpha   89.24480601
_cell_angle_beta   89.04022992
_cell_angle_gamma   63.79905743
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrNiH8C14(NO)6
_chemical_formula_sum   'V2 Cr2 Ni2 H16 C28 N12 O12'
_cell_volume   1147.69981083
_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  0.90577967  0.09627051  0.25320889  1
  Cr  Cr1  1  0.09421878  0.90373219  0.74678973  1
  V  V2  1  0.85354673  0.98644983  -0.00140175  1
  Ni  Ni3  1  0.01710237  0.14621059  0.50567817  1
  V  V4  1  0.14645484  0.01354829  1.00140016  1
  Ni  Ni5  1  0.98289374  0.85379427  0.49432143  1
  H  H6  1  0.53597323  0.16769148  0.41513660  1
  H  H7  1  0.83051662  0.46361811  0.08679506  1
  H  H8  1  0.46402909  0.83229826  0.58486837  1
  H  H9  1  0.16948869  0.53638292  0.91320186  1
  H  H10  1  0.33220860  0.15500888  0.51191823  1
  H  H11  1  0.84280516  0.66734400  0.98841857  1
  H  H12  1  0.66778642  0.84499001  0.48808317  1
  H  H13  1  0.15720152  0.33265744  0.01157968  1
  H  H14  1  0.42510584  0.07372217  0.05771613  1
  H  H15  1  0.92995786  0.57519073  0.44136532  1
  H  H16  1  0.57489660  0.92627521  0.94228564  1
  H  H17  1  0.07003434  0.42481552  0.55863534  1
  H  H18  1  0.87686511  0.21132184  0.04147649  1
  H  H19  1  0.79259032  0.12320806  0.45833522  1
  H  H20  1  0.12313606  0.78867866  0.95852072  1
  H  H21  1  0.20740666  0.87679710  0.54166265  1
  C  C22  1  0.62488904  0.11673112  0.17600290  1
  C  C23  1  0.88434610  0.37451351  0.32546977  1
  C  C24  1  0.37511322  0.88325883  0.82399919  1
  C  C25  1  0.11565005  0.62549004  0.67452850  1
  C  C26  1  0.49763894  0.11712322  0.23058949  1
  C  C27  1  0.88353635  0.50274214  0.27004059  1
  C  C28  1  0.50236392  0.88286833  0.76941410  1
  C  C29  1  0.11646246  0.49726091  0.72995851  1
  C  C30  1  0.46768834  0.14304114  0.35856016  1
  C  C31  1  0.85622608  0.53170403  0.14258120  1
  C  C32  1  0.53231323  0.85695132  0.64144352  1
  C  C33  1  0.14377713  0.46829776  0.85741682  1
  C  C34  1  0.35367585  0.13710943  0.41369017  1
  C  C35  1  0.86168333  0.64549131  0.08643332  1
  C  C36  1  0.64632290  0.86288758  0.58631190  1
  C  C37  1  0.13832184  0.35450986  0.91356514  1
  C  C38  1  0.26628427  0.10619685  0.33944877  1
  C  C39  1  0.89359634  0.73204302  0.16005259  1
  C  C40  1  0.73371434  0.89380227  0.66055129  1
  C  C41  1  0.10640827  0.26795773  0.83994668  1
  C  C42  1  0.29328505  0.08419551  0.21248599  1
  C  C43  1  0.91847303  0.70668144  0.28655798  1
  C  C44  1  0.70671520  0.91580220  0.78751436  1
  C  C45  1  0.08152552  0.29332199  0.71344219  1
  C  C46  1  0.40773305  0.09011064  0.15631175  1
  C  C47  1  0.91225719  0.59240697  0.34310156  1
  C  C48  1  0.59226862  0.90988429  0.84369046  1
  C  C49  1  0.08773889  0.40759761  0.65689845  1
  N  N50  1  0.15040945  0.08892890  0.36638173  1
  N  N51  1  0.90848389  0.84890092  0.13323778  1
  N  N52  1  0.84958642  0.91107401  0.63361655  1
  N  N53  1  0.09152591  0.15109757  0.86676108  1
  N  N54  1  0.10707267  0.05583135  0.26295688  1
  N  N55  1  0.94513788  0.89233458  0.23855719  1
  N  N56  1  0.89292297  0.94417329  0.73704141  1
  N  N57  1  0.05486674  0.10766545  0.76144333  1
  N  N58  1  0.19058516  0.05657008  0.16636968  1
  N  N59  1  0.94733062  0.80926743  0.33176764  1
  N  N60  1  0.80941337  0.94343161  0.83362915  1
  N  N61  1  0.05266728  0.19073613  0.66823344  1
  O  O62  1  0.92847765  0.11397726  0.06264020  1
  O  O63  1  0.88880048  0.07498874  0.43285321  1
  O  O64  1  0.07152329  0.88602319  0.93735749  1
  O  O65  1  0.11119657  0.92501613  0.56714528  1
  O  O66  1  0.70072998  0.14617590  0.24710672  1
  O  O67  1  0.85445934  0.29942568  0.25191590  1
  O  O68  1  0.29926922  0.85382130  0.75289258  1
  O  O69  1  0.14553755  0.70057840  0.74808100  1
  O  O70  1  0.65203639  0.08596080  0.06148085  1
  O  O71  1  0.91583348  0.34706304  0.43767375  1
  O  O72  1  0.34796784  0.91402204  0.93852331  1
  O  O73  1  0.08415960  0.65294187  0.56232523  1
