# generated using pymatgen
data_VNi2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86221131
_cell_length_b   10.85684159
_cell_length_c   10.84728756
_cell_angle_alpha   89.25162134
_cell_angle_beta   89.04697263
_cell_angle_gamma   63.79302150
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi2H8C14(NO)6
_chemical_formula_sum   'V2 Ni4 H16 C28 N12 O12'
_cell_volume   1147.53380880
_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  0.90241369  0.09791354  0.25003460  1
  V  V1  1  0.09758399  0.90209028  0.74996336  1
  Ni  Ni2  1  0.85261598  0.98289059  -0.00445755  1
  Ni  Ni3  1  0.01656683  0.14774428  0.50457988  1
  Ni  Ni4  1  0.14738788  0.01710688  1.00445571  1
  Ni  Ni5  1  0.98342998  0.85226044  0.49542064  1
  H  H6  1  0.53669771  0.16735307  0.41434308  1
  H  H7  1  0.83137116  0.46389159  0.08674534  1
  H  H8  1  0.46330416  0.83263647  0.58566200  1
  H  H9  1  0.16863425  0.53611009  0.91325172  1
  H  H10  1  0.33260178  0.15479897  0.51205550  1
  H  H11  1  0.84307866  0.66808727  0.98883602  1
  H  H12  1  0.66739295  0.84519992  0.48794501  1
  H  H13  1  0.15692790  0.33191448  0.01116256  1
  H  H14  1  0.42513256  0.07338251  0.05791335  1
  H  H15  1  0.93029665  0.57476377  0.44164088  1
  H  H16  1  0.57486990  0.92661516  0.94208785  1
  H  H17  1  0.06969575  0.42524211  0.55835991  1
  H  H18  1  0.87832100  0.20706092  0.04308069  1
  H  H19  1  0.79320203  0.12161329  0.45716350  1
  H  H20  1  0.12167978  0.79294118  0.95691853  1
  H  H21  1  0.20679503  0.87839095  0.54283447  1
  C  C22  1  0.62492423  0.11669175  0.17476829  1
  C  C23  1  0.88402503  0.37541281  0.32563530  1
  C  C24  1  0.37507843  0.88329811  0.82523490  1
  C  C25  1  0.11597137  0.62459073  0.67436223  1
  C  C26  1  0.49697214  0.11733214  0.23027275  1
  C  C27  1  0.88361494  0.50311599  0.27008517  1
  C  C28  1  0.50302958  0.88265930  0.76973072  1
  C  C29  1  0.11638417  0.49688666  0.72991367  1
  C  C30  1  0.46769005  0.14318334  0.35831851  1
  C  C31  1  0.85642406  0.53265531  0.14241314  1
  C  C32  1  0.53231127  0.85680875  0.64168436  1
  C  C33  1  0.14357950  0.46734693  0.85758510  1
  C  C34  1  0.35388526  0.13716164  0.41364572  1
  C  C35  1  0.86196053  0.64652937  0.08693835  1
  C  C36  1  0.64611318  0.86283521  0.58635560  1
  C  C37  1  0.13804457  0.35347210  0.91306033  1
  C  C38  1  0.26675604  0.10634364  0.33946679  1
  C  C39  1  0.89377679  0.73345238  0.16064016  1
  C  C40  1  0.73324236  0.89365516  0.66053318  1
  C  C41  1  0.10622787  0.26654837  0.83935965  1
  C  C42  1  0.29332848  0.08297409  0.21249467  1
  C  C43  1  0.91870101  0.70647439  0.28718404  1
  C  C44  1  0.70667139  0.91702277  0.78750569  1
  C  C45  1  0.08129708  0.29352904  0.71281666  1
  C  C46  1  0.40753347  0.08988499  0.15645662  1
  C  C47  1  0.91238965  0.59223569  0.34338673  1
  C  C48  1  0.59246760  0.91010948  0.84354498  1
  C  C49  1  0.08760660  0.40776829  0.65661345  1
  N  N50  1  0.15059405  0.09013185  0.36621487  1
  N  N51  1  0.90962344  0.84978514  0.13384222  1
  N  N52  1  0.84940132  0.90987262  0.63378313  1
  N  N53  1  0.09038578  0.15021313  0.86615727  1
  N  N54  1  0.10673604  0.05915958  0.26108288  1
  N  N55  1  0.94195836  0.89327259  0.23850814  1
  N  N56  1  0.89325943  0.94084568  0.73891455  1
  N  N57  1  0.05804632  0.10672820  0.76149181  1
  N  N58  1  0.19148165  0.05452989  0.16680373  1
  N  N59  1  0.94766519  0.80818912  0.33262562  1
  N  N60  1  0.80851568  0.94547205  0.83319475  1
  N  N61  1  0.05233224  0.19181518  0.66737510  1
  O  O62  1  0.92509070  0.11096572  0.06960540  1
  O  O63  1  0.88933570  0.07502666  0.43038375  1
  O  O64  1  0.07491006  0.88903548  0.93039208  1
  O  O65  1  0.11066163  0.92497810  0.56961491  1
  O  O66  1  0.70021624  0.14629302  0.24805575  1
  O  O67  1  0.85356264  0.30030184  0.25265838  1
  O  O68  1  0.29978351  0.85370360  0.75194487  1
  O  O69  1  0.14643342  0.69970332  0.74733777  1
  O  O70  1  0.65231223  0.08533525  0.06214316  1
  O  O71  1  0.91594173  0.34801120  0.43792036  1
  O  O72  1  0.34769418  0.91464544  0.93786216  1
  O  O73  1  0.08405269  0.65199196  0.56207790  1
