# generated using pymatgen
data_V2NiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86574926
_cell_length_b   10.85933649
_cell_length_c   10.85259823
_cell_angle_alpha   89.24055719
_cell_angle_beta   89.03513984
_cell_angle_gamma   63.78555614
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2NiH8C14(NO)6
_chemical_formula_sum   'V4 Ni2 H16 C28 N12 O12'
_cell_volume   1148.65501360
_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  0.90537308  0.09606830  0.25576057  1
  V  V1  1  0.09462432  0.90393465  0.74423722  1
  V  V2  1  0.85410861  0.98567292  -0.00083367  1
  Ni  Ni3  1  0.01902741  0.14630432  0.50577785  1
  V  V4  1  0.14589332  0.01432637  1.00083273  1
  Ni  Ni5  1  0.98096888  0.85370053  0.49422200  1
  H  H6  1  0.53579629  0.16796382  0.41512588  1
  H  H7  1  0.83011730  0.46352359  0.08688390  1
  H  H8  1  0.46420619  0.83202588  0.58487877  1
  H  H9  1  0.16988797  0.53647708  0.91311328  1
  H  H10  1  0.33207239  0.15542343  0.51172231  1
  H  H11  1  0.84232198  0.66697191  0.98832895  1
  H  H12  1  0.66792367  0.84457540  0.48827907  1
  H  H13  1  0.15768481  0.33302892  0.01166882  1
  H  H14  1  0.42539727  0.07410679  0.05731730  1
  H  H15  1  0.92973185  0.57545999  0.44146405  1
  H  H16  1  0.57460493  0.92589006  0.94268472  1
  H  H17  1  0.07026051  0.42454629  0.55853636  1
  H  H18  1  0.87582802  0.21302640  0.03880456  1
  H  H19  1  0.79051436  0.12539204  0.46076430  1
  H  H20  1  0.12417335  0.78697387  0.96119288  1
  H  H21  1  0.20948175  0.87461268  0.53923359  1
  C  C22  1  0.62398989  0.11724479  0.17539046  1
  C  C23  1  0.88382744  0.37568840  0.32567633  1
  C  C24  1  0.37601198  0.88274641  0.82461208  1
  C  C25  1  0.11616864  0.62431511  0.67432235  1
  C  C26  1  0.49762080  0.11725627  0.23052227  1
  C  C27  1  0.88341290  0.50301492  0.27010033  1
  C  C28  1  0.50238171  0.88273547  0.76948085  1
  C  C29  1  0.11658565  0.49698764  0.72989920  1
  C  C30  1  0.46782298  0.14306781  0.35859796  1
  C  C31  1  0.85607681  0.53159501  0.14245572  1
  C  C32  1  0.53217864  0.85692444  0.64140544  1
  C  C33  1  0.14392609  0.46840640  0.85754237  1
  C  C34  1  0.35397860  0.13724163  0.41358217  1
  C  C35  1  0.86143559  0.64521877  0.08622018  1
  C  C36  1  0.64602043  0.86275516  0.58641967  1
  C  C37  1  0.13856973  0.35478155  0.91377800  1
  C  C38  1  0.26712983  0.10610376  0.33900548  1
  C  C39  1  0.89343132  0.73153231  0.15970324  1
  C  C40  1  0.73286792  0.89389540  0.66099500  1
  C  C41  1  0.10657385  0.26846753  0.84029599  1
  C  C42  1  0.29420656  0.08418304  0.21213051  1
  C  C43  1  0.91868142  0.70641749  0.28609319  1
  C  C44  1  0.70579339  0.91581473  0.78786991  1
  C  C45  1  0.08131766  0.29358576  0.71390714  1
  C  C46  1  0.40804526  0.09017100  0.15600087  1
  C  C47  1  0.91226758  0.59234378  0.34305129  1
  C  C48  1  0.59195594  0.90982383  0.84400120  1
  C  C49  1  0.08772824  0.40766050  0.65694883  1
  N  N50  1  0.15209588  0.08801139  0.36616024  1
  N  N51  1  0.90860076  0.84803786  0.13222001  1
  N  N52  1  0.84789957  0.91199321  0.63383839  1
  N  N53  1  0.09140883  0.15195933  0.86777834  1
  N  N54  1  0.10869813  0.05477487  0.26252397  1
  N  N55  1  0.94430236  0.89220739  0.23786788  1
  N  N56  1  0.89129839  0.94522860  0.73747414  1
  N  N57  1  0.05570261  0.10779284  0.76213178  1
  N  N58  1  0.19238905  0.05540301  0.16607051  1
  N  N59  1  0.94855297  0.80820308  0.33105644  1
  N  N60  1  0.80760955  0.94459869  0.83392836  1
  N  N61  1  0.05144545  0.19180094  0.66894395  1
  O  O62  1  0.92736506  0.11559352  0.06032737  1
  O  O63  1  0.88721734  0.07561949  0.43664233  1
  O  O64  1  0.07263587  0.88440696  0.93967051  1
  O  O65  1  0.11277934  0.92438524  0.56335773  1
  O  O66  1  0.70002127  0.14690478  0.24609097  1
  O  O67  1  0.85381838  0.30072022  0.25189067  1
  O  O68  1  0.29997797  0.85309284  0.75390890  1
  O  O69  1  0.14617779  0.69928451  0.74810600  1
  O  O70  1  0.65190132  0.08554362  0.06103648  1
  O  O71  1  0.91593300  0.34710471  0.43769292  1
  O  O72  1  0.34810277  0.91444220  0.93896700  1
  O  O73  1  0.08406172  0.65289931  0.56230605  1
