# generated using pymatgen
data_VNiH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40515980
_cell_length_b   9.52248318
_cell_length_c   9.52620175
_cell_angle_alpha   81.78331061
_cell_angle_beta   75.39590968
_cell_angle_gamma   75.79867044
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiH20C28(N3O2)4
_chemical_formula_sum   'V1 Ni1 H20 C28 N12 O8'
_cell_volume   797.38191605
_cell_formula_units_Z   1
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  0.73973005  0.94692206  0.71904810  1
  Ni  Ni1  1  0.23846256  0.70713443  0.95359739  1
  H  H2  1  0.38939413  0.01365512  0.60993038  1
  H  H3  1  0.88883646  0.61340681  0.02598432  1
  H  H4  1  0.59631696  0.49019891  0.77919183  1
  H  H5  1  0.10550489  0.77279870  0.48361342  1
  H  H6  1  0.87364126  0.87615644  0.17598488  1
  H  H7  1  0.36808250  0.17912396  0.88282660  1
  H  H8  1  0.07728158  0.31023402  0.24791703  1
  H  H9  1  0.57860678  0.24504101  0.29609513  1
  H  H10  1  0.58859740  0.92471340  0.08184231  1
  H  H11  1  0.08675521  0.08921076  0.92473593  1
  H  H12  1  0.96217498  0.11326758  0.40875986  1
  H  H13  1  0.46782477  0.40850860  0.09987745  1
  H  H14  1  0.78884051  0.63263409  0.53487487  1
  H  H15  1  0.29397954  0.53217388  0.62079928  1
  H  H16  1  0.21153602  0.03102687  0.44869724  1
  H  H17  1  0.71052641  0.45558812  0.03278464  1
  H  H18  1  0.30976937  0.98469122  0.18594001  1
  H  H19  1  0.80721513  0.19360960  0.98281386  1
  H  H20  1  0.98601317  0.56818365  0.30735668  1
  H  H21  1  0.48915146  0.30348956  0.55466824  1
  C  C22  1  0.42970951  0.99375197  0.49540209  1
  C  C23  1  0.92948020  0.50012336  0.00252580  1
  C  C24  1  0.43992906  0.89664666  0.86722077  1
  C  C25  1  0.94626428  0.86723860  0.90609544  1
  C  C26  1  0.54465051  0.74602226  0.83532875  1
  C  C27  1  0.04651010  0.82229843  0.75699552  1
  C  C28  1  0.98944199  0.33722971  0.34566567  1
  C  C29  1  0.49248003  0.34345284  0.32372349  1
  C  C30  1  0.54290760  0.94300833  0.19598529  1
  C  C31  1  0.04030938  0.20256627  0.94510191  1
  C  C32  1  0.82100230  0.26462006  0.56086181  1
  C  C33  1  0.32716788  0.56076983  0.25234105  1
  C  C34  1  0.93000679  0.22617469  0.43469858  1
  C  C35  1  0.43492718  0.43410653  0.21311225  1
  C  C36  1  0.82847523  0.52109566  0.50567657  1
  C  C37  1  0.33413273  0.50259395  0.50920135  1
  C  C38  1  0.77101123  0.40919812  0.59529529  1
  C  C39  1  0.27839748  0.59262328  0.39782054  1
  C  C40  1  0.63945018  0.93215651  0.28890513  1
  C  C41  1  0.13693417  0.29439656  0.93848063  1
  C  C42  1  0.33258379  0.00348690  0.40375057  1
  C  C43  1  0.83154130  0.41011901  0.00705990  1
  C  C44  1  0.38796534  0.97831789  0.25538967  1
  C  C45  1  0.88561611  0.26244536  0.97921749  1
  C  C46  1  0.93857465  0.48304406  0.37982515  1
  C  C47  1  0.44251841  0.37653512  0.47013081  1
  C  C48  1  0.58442357  0.95738266  0.43565790  1
  C  C49  1  0.08428974  0.44002239  0.96766303  1
  N  N50  1  0.83297765  0.91253896  0.39366666  1
  N  N51  1  0.33342244  0.39393430  0.92430838  1
  N  N52  1  0.64697987  0.26699184  0.76615111  1
  N  N53  1  0.15370186  0.76591456  0.25995096  1
  N  N54  1  0.70887998  0.94248649  0.49568044  1
  N  N55  1  0.21143727  0.49567403  0.95696878  1
  N  N56  1  0.66464409  0.40199066  0.72345502  1
  N  N57  1  0.17372141  0.72122507  0.39411441  1
  N  N58  1  0.74116993  0.18142631  0.66994093  1
  N  N59  1  0.24745389  0.67288272  0.17237368  1
  N  N60  1  0.79325520  0.90380876  0.27130133  1
  N  N61  1  0.29046405  0.27369583  0.91203634  1
  O  O62  1  0.48430274  0.63710408  0.87168915  1
  O  O63  1  0.98114321  0.85962248  0.65014010  1
  O  O64  1  0.50265677  0.00536163  0.82478292  1
  O  O65  1  1.00297041  0.82377075  0.01602601  1
  O  O66  1  0.30467582  0.90170270  0.93005104  1
  O  O67  1  0.81362888  0.94143439  0.90741636  1
  O  O68  1  0.68120762  0.74447390  0.77251766  1
  O  O69  1  0.17900690  0.75212259  0.75231856  1
