# generated using pymatgen
data_V2NiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86677191
_cell_length_b   10.86126340
_cell_length_c   10.84890025
_cell_angle_alpha   89.25928760
_cell_angle_beta   89.05456656
_cell_angle_gamma   63.77300588
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2NiH8C14(NO)6
_chemical_formula_sum   'V4 Ni2 H16 C28 N12 O12'
_cell_volume   1148.45951276
_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
  Ni  Ni0  1  0.90934633  0.09098682  0.25005705  1
  Ni  Ni1  1  0.09065223  0.90901601  0.74994084  1
  V  V2  1  0.85356098  0.98720511  0.00118150  1
  V  V3  1  0.01259269  0.14661410  0.49883360  1
  V  V4  1  0.14644160  0.01279198  0.99881681  1
  V  V5  1  0.98740423  0.85339031  0.50116627  1
  H  H6  1  0.53683529  0.16811016  0.41442343  1
  H  H7  1  0.83063323  0.46376119  0.08669535  1
  H  H8  1  0.46316630  0.83187965  0.58558191  1
  H  H9  1  0.16937223  0.53624071  0.91330195  1
  H  H10  1  0.33324469  0.15493308  0.51219608  1
  H  H11  1  0.84297279  0.66747278  0.98875759  1
  H  H12  1  0.66674997  0.84506561  0.48780397  1
  H  H13  1  0.15703392  0.33252925  0.01124113  1
  H  H14  1  0.42499765  0.07345705  0.05748763  1
  H  H15  1  0.93017143  0.57488983  0.44204333  1
  H  H16  1  0.57500548  0.92654094  0.94251395  1
  H  H17  1  0.06982092  0.42511631  0.55795784  1
  H  H18  1  0.87655291  0.21292940  0.04452699  1
  H  H19  1  0.78732239  0.12318866  0.45570315  1
  H  H20  1  0.12344799  0.78707089  0.95547104  1
  H  H21  1  0.21267425  0.87681593  0.54429462  1
  C  C22  1  0.62558548  0.11695842  0.17623205  1
  C  C23  1  0.88371608  0.37472070  0.32418084  1
  C  C24  1  0.37441741  0.88303074  0.82377165  1
  C  C25  1  0.11627991  0.62528300  0.67581691  1
  C  C26  1  0.49782953  0.11729233  0.23025076  1
  C  C27  1  0.88364352  0.50230248  0.27008236  1
  C  C28  1  0.50217266  0.88269920  0.76975264  1
  C  C29  1  0.11635554  0.49770127  0.72991672  1
  C  C30  1  0.46849819  0.14342388  0.35801188  1
  C  C31  1  0.85620094  0.53187138  0.14272961  1
  C  C32  1  0.53150320  0.85656789  0.64199151  1
  C  C33  1  0.14380290  0.46813089  0.85726883  1
  C  C34  1  0.35467411  0.13735481  0.41379863  1
  C  C35  1  0.86178326  0.64577164  0.08684653  1
  C  C36  1  0.64532369  0.86264165  0.58620205  1
  C  C37  1  0.13822195  0.35423038  0.91315252  1
  C  C38  1  0.26840908  0.10641646  0.33898905  1
  C  C39  1  0.89374199  0.73187315  0.16114501  1
  C  C40  1  0.73158909  0.89358225  0.66100989  1
  C  C41  1  0.10626330  0.26812792  0.83885492  1
  C  C42  1  0.29414960  0.08374978  0.21232830  1
  C  C43  1  0.91801950  0.70572823  0.28740084  1
  C  C44  1  0.70585043  0.91624683  0.78767125  1
  C  C45  1  0.08197861  0.29427604  0.71260034  1
  C  C46  1  0.40771312  0.08997359  0.15601335  1
  C  C47  1  0.91232600  0.59210264  0.34379721  1
  C  C48  1  0.59228924  0.91002141  0.84398849  1
  C  C49  1  0.08767061  0.40790136  0.65620313  1
  N  N50  1  0.15052540  0.09212813  0.36449787  1
  N  N51  1  0.90747072  0.84998481  0.13554436  1
  N  N52  1  0.84946916  0.90787585  0.63549969  1
  N  N53  1  0.09253997  0.15001342  0.86445555  1
  N  N54  1  0.10772391  0.05538568  0.26116919  1
  N  N55  1  0.94565854  0.89245471  0.23840090  1
  N  N56  1  0.89227002  0.94461974  0.73882771  1
  N  N57  1  0.05434676  0.10754582  0.76160015  1
  N  N58  1  0.18990834  0.05564544  0.16681777  1
  N  N59  1  0.94646096  0.81003704  0.33258290  1
  N  N60  1  0.81008861  0.94435778  0.83317993  1
  N  N61  1  0.05353713  0.18996653  0.66741907  1
  O  O62  1  0.93045564  0.11368777  0.05374106  1
  O  O63  1  0.88658126  0.06948444  0.44626076  1
  O  O64  1  0.06954499  0.88631254  0.94625581  1
  O  O65  1  0.11341560  0.93052000  0.55373893  1
  O  O66  1  0.70065787  0.14622579  0.24645150  1
  O  O67  1  0.85360808  0.29991468  0.25418792  1
  O  O68  1  0.29934259  0.85377006  0.75354892  1
  O  O69  1  0.14638752  0.70009087  0.74580788  1
  O  O70  1  0.65396221  0.08417573  0.06092319  1
  O  O71  1  0.91692344  0.34637140  0.43916063  1
  O  O72  1  0.34604313  0.91580646  0.93908223  1
  O  O73  1  0.08307019  0.65363197  0.56083726  1
