# generated using pymatgen
data_VNi2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86528173
_cell_length_b   10.85916135
_cell_length_c   10.85377164
_cell_angle_alpha   89.21756996
_cell_angle_beta   89.03386326
_cell_angle_gamma   63.77580198
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi2H8C14(NO)6
_chemical_formula_sum   'V2 Ni4 H16 C28 N12 O12'
_cell_volume   1148.61117652
_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  0.90313887  0.09594925  0.24493686  1
  Ni  Ni1  1  0.09686097  0.90405228  0.75506117  1
  Ni  Ni2  1  0.85951552  0.98177750  -0.00575425  1
  V  V3  1  0.01177054  0.14525856  0.49894239  1
  Ni  Ni4  1  0.14048319  0.01822205  1.00575379  1
  V  V5  1  0.98822847  0.85474512  0.50105641  1
  H  H6  1  0.53793883  0.16882142  0.41298460  1
  H  H7  1  0.83126165  0.46370792  0.08734398  1
  H  H8  1  0.46206351  0.83116869  0.58702049  1
  H  H9  1  0.16874297  0.53629210  0.91265285  1
  H  H10  1  0.33397931  0.15610163  0.51106151  1
  H  H11  1  0.84221398  0.66868817  0.99060214  1
  H  H12  1  0.66601767  0.84389636  0.48893974  1
  H  H13  1  0.15779392  0.33131109  0.00939568  1
  H  H14  1  0.42559798  0.07464045  0.05661708  1
  H  H15  1  0.92860761  0.57481547  0.44344543  1
  H  H16  1  0.57440021  0.92535639  0.94338431  1
  H  H17  1  0.07138385  0.42518990  0.55655446  1
  H  H18  1  0.87453125  0.20648419  0.04057493  1
  H  H19  1  0.78512253  0.12512325  0.45650851  1
  H  H20  1  0.12546856  0.79351759  0.95942175  1
  H  H21  1  0.21487520  0.87488015  0.54348872  1
  C  C22  1  0.62832034  0.11599391  0.17565165  1
  C  C23  1  0.88381145  0.37497011  0.32643968  1
  C  C24  1  0.37168294  0.88399719  0.82435341  1
  C  C25  1  0.11618501  0.62503376  0.67355972  1
  C  C26  1  0.49910717  0.11671397  0.22960762  1
  C  C27  1  0.88406562  0.50189154  0.27118602  1
  C  C28  1  0.50089424  0.88328009  0.77039493  1
  C  C29  1  0.11593145  0.49811163  0.72881259  1
  C  C30  1  0.46996122  0.14325929  0.35709685  1
  C  C31  1  0.85685186  0.53156967  0.14365533  1
  C  C32  1  0.53003995  0.85673351  0.64290627  1
  C  C33  1  0.14315071  0.46843126  0.85634276  1
  C  C34  1  0.35591130  0.13798115  0.41288045  1
  C  C35  1  0.86170740  0.64592045  0.08836063  1
  C  C36  1  0.64408789  0.86201543  0.58712158  1
  C  C37  1  0.13829839  0.35407894  0.91163746  1
  C  C38  1  0.26946406  0.10780753  0.33842129  1
  C  C39  1  0.89331825  0.73242044  0.16253316  1
  C  C40  1  0.73053391  0.89219197  0.66157957  1
  C  C41  1  0.10668699  0.26757918  0.83746560  1
  C  C42  1  0.29522662  0.08400643  0.21176284  1
  C  C43  1  0.91659784  0.70557493  0.28891848  1
  C  C44  1  0.70477308  0.91599164  0.78823900  1
  C  C45  1  0.08340200  0.29442692  0.71108092  1
  C  C46  1  0.40940646  0.09004831  0.15536117  1
  C  C47  1  0.91170656  0.59145877  0.34516026  1
  C  C48  1  0.59059368  0.90994705  0.84464053  1
  C  C49  1  0.08828858  0.40854498  0.65483916  1
  N  N50  1  0.15435265  0.08978322  0.36469358  1
  N  N51  1  0.91452230  0.84607570  0.13578892  1
  N  N52  1  0.84564154  0.91022180  0.63530340  1
  N  N53  1  0.08548580  0.15392267  0.86421007  1
  N  N54  1  0.11585027  0.04781381  0.26111456  1
  N  N55  1  0.95428835  0.88468299  0.23711301  1
  N  N56  1  0.88414656  0.95219079  0.73888148  1
  N  N57  1  0.04571455  0.11531802  0.76288729  1
  N  N58  1  0.19400726  0.05240505  0.16724593  1
  N  N59  1  0.95013239  0.80527729  0.33326834  1
  N  N60  1  0.80599362  0.94759571  0.83275121  1
  N  N61  1  0.04986620  0.19472545  0.66673170  1
  O  O62  1  0.92754913  0.11080752  0.06491340  1
  O  O63  1  0.88425596  0.07145818  0.44467277  1
  O  O64  1  0.07245006  0.88919492  0.93508398  1
  O  O65  1  0.11574219  0.92854623  0.55532671  1
  O  O66  1  0.69927605  0.14807172  0.24955753  1
  O  O67  1  0.85030051  0.30174813  0.25818581  1
  O  O68  1  0.30072432  0.85192572  0.75044581  1
  O  O69  1  0.14969708  0.69825636  0.74181121  1
  O  O70  1  0.65797821  0.08199920  0.06320558  1
  O  O71  1  0.91949968  0.34595741  0.44066032  1
  O  O72  1  0.34202887  0.91798797  0.93680098  1
  O  O73  1  0.08049542  0.65404735  0.55933931  1
