# generated using pymatgen
data_VFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86616013
_cell_length_b   10.86038129
_cell_length_c   10.85444488
_cell_angle_alpha   89.24522815
_cell_angle_beta   89.04597004
_cell_angle_gamma   63.78299365
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeNiH8C14(NO)6
_chemical_formula_sum   'V2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1148.98276798
_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  0.90295687  0.09739691  0.24763260  1
  V  V1  1  0.09704238  0.90260523  0.75236617  1
  Ni  Ni2  1  0.85231897  0.98254538  -0.00468086  1
  Fe  Fe3  1  0.00919234  0.14656835  0.50573953  1
  Ni  Ni4  1  0.14768584  0.01745186  1.00467929  1
  Fe  Fe5  1  0.99080387  0.85343691  0.49426042  1
  H  H6  1  0.53672855  0.16774777  0.41417644  1
  H  H7  1  0.83087351  0.46373050  0.08571458  1
  H  H8  1  0.46327313  0.83224180  0.58582831  1
  H  H9  1  0.16913173  0.53627073  0.91428226  1
  H  H10  1  0.33242479  0.15467015  0.51101614  1
  H  H11  1  0.84248201  0.66796588  0.98728118  1
  H  H12  1  0.66757038  0.84532874  0.48898447  1
  H  H13  1  0.15752477  0.33203570  0.01271763  1
  H  H14  1  0.42637120  0.07394770  0.05710145  1
  H  H15  1  0.92962314  0.57515360  0.44013692  1
  H  H16  1  0.57363084  0.92604977  0.94290053  1
  H  H17  1  0.07036923  0.42485230  0.55986390  1
  H  H18  1  0.87708525  0.20783942  0.04274861  1
  H  H19  1  0.78697371  0.12183964  0.45645027  1
  H  H20  1  0.12291513  0.79216291  0.95725111  1
  H  H21  1  0.21302352  0.87816475  0.54354664  1
  C  C22  1  0.62554139  0.11698455  0.17438199  1
  C  C23  1  0.88347132  0.37626031  0.32517254  1
  C  C24  1  0.37446130  0.88300548  0.82562017  1
  C  C25  1  0.11652474  0.62374312  0.67482535  1
  C  C26  1  0.49781965  0.11747468  0.22984290  1
  C  C27  1  0.88298249  0.50327109  0.26882942  1
  C  C28  1  0.50218208  0.88251629  0.77016042  1
  C  C29  1  0.11701657  0.49673191  0.73116936  1
  C  C30  1  0.46845457  0.14325549  0.35768461  1
  C  C31  1  0.85600848  0.53244572  0.14125209  1
  C  C32  1  0.53154663  0.85673662  0.64231864  1
  C  C33  1  0.14399483  0.46755603  0.85874564  1
  C  C34  1  0.35465276  0.13692135  0.41281571  1
  C  C35  1  0.86135768  0.64628348  0.08522914  1
  C  C36  1  0.64534592  0.86307535  0.58718568  1
  C  C37  1  0.13864779  0.35371744  0.91476947  1
  C  C38  1  0.26862936  0.10542431  0.33807530  1
  C  C39  1  0.89325273  0.73334463  0.15857804  1
  C  C40  1  0.73136900  0.89457445  0.66192433  1
  C  C41  1  0.10675247  0.26665614  0.84142155  1
  C  C42  1  0.29456764  0.08291853  0.21103968  1
  C  C43  1  0.91817846  0.70591939  0.28499511  1
  C  C44  1  0.70543300  0.91707830  0.78896023  1
  C  C45  1  0.08182020  0.29408400  0.71500558  1
  C  C46  1  0.40864223  0.09004604  0.15562249  1
  C  C47  1  0.91178769  0.59244708  0.34184992  1
  C  C48  1  0.59135922  0.90994862  0.84437938  1
  C  C49  1  0.08820867  0.40755744  0.65815038  1
  N  N50  1  0.15399606  0.08752176  0.36481988  1
  N  N51  1  0.90996236  0.84925280  0.13154489  1
  N  N52  1  0.84599942  0.91248343  0.63517875  1
  N  N53  1  0.09004613  0.15074642  0.86845441  1
  N  N54  1  0.10783674  0.05873440  0.25930502  1
  N  N55  1  0.94232013  0.89344155  0.23566091  1
  N  N56  1  0.89215842  0.94127126  0.74069268  1
  N  N57  1  0.05768320  0.10655968  0.76433913  1
  N  N58  1  0.19257154  0.05405869  0.16554940  1
  N  N59  1  0.94850405  0.80662235  0.32944700  1
  N  N60  1  0.80742629  0.94594307  0.83444934  1
  N  N61  1  0.05149287  0.19338231  0.67055401  1
  O  O62  1  0.92442682  0.11162621  0.06910421  1
  O  O63  1  0.88308335  0.07173490  0.43056358  1
  O  O64  1  0.07557310  0.88837476  0.93089077  1
  O  O65  1  0.11691497  0.92826851  0.56943699  1
  O  O66  1  0.70104100  0.14660398  0.24745214  1
  O  O67  1  0.85341416  0.29996562  0.25339633  1
  O  O68  1  0.29895730  0.85339285  0.75254856  1
  O  O69  1  0.14658296  0.70003848  0.74660160  1
  O  O70  1  0.65258913  0.08573481  0.06188126  1
  O  O71  1  0.91555066  0.34935492  0.43758726  1
  O  O72  1  0.34741710  0.91424672  0.93812266  1
  O  O73  1  0.08444269  0.65064946  0.56241091  1
