# generated using pymatgen
data_VNi2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86423114
_cell_length_b   10.85927178
_cell_length_c   10.85505377
_cell_angle_alpha   89.23116729
_cell_angle_beta   89.00523570
_cell_angle_gamma   63.77392105
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi2H8C14(NO)6
_chemical_formula_sum   'V2 Ni4 H16 C28 N12 O12'
_cell_volume   1148.62297871
_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  0.90451158  0.09682487  0.25487081  1
  Ni  Ni1  1  0.09548690  0.90317827  0.74512749  1
  V  V2  1  0.85478469  0.98759060  0.00134539  1
  Ni  Ni3  1  0.01830769  0.14027024  0.50498283  1
  V  V4  1  0.14521631  0.01240835  0.99865392  1
  Ni  Ni5  1  0.98168859  0.85973495  0.49501717  1
  H  H6  1  0.53708971  0.16736065  0.41325670  1
  H  H7  1  0.83005146  0.46224338  0.08844839  1
  H  H8  1  0.46291424  0.83262927  0.58674665  1
  H  H9  1  0.16995285  0.53775726  0.91154793  1
  H  H10  1  0.33177950  0.15606484  0.51018368  1
  H  H11  1  0.84179812  0.66641844  0.98954389  1
  H  H12  1  0.66821905  0.84393314  0.48981772  1
  H  H13  1  0.15821007  0.33358106  0.01045480  1
  H  H14  1  0.42543619  0.07513359  0.05572626  1
  H  H15  1  0.92865261  0.57403566  0.44292054  1
  H  H16  1  0.57456504  0.92486200  0.94427494  1
  H  H17  1  0.07133849  0.42596982  0.55707945  1
  H  H18  1  0.87480552  0.21419360  0.04386616  1
  H  H19  1  0.79411283  0.12592121  0.46007598  1
  H  H20  1  0.12519430  0.78580549  0.95613037  1
  H  H21  1  0.20588459  0.87408383  0.53992028  1
  C  C22  1  0.62568273  0.11671521  0.17398854  1
  C  C23  1  0.88517887  0.37159837  0.32486337  1
  C  C24  1  0.37431981  0.88327825  0.82601396  1
  C  C25  1  0.11481669  0.62840613  0.67513525  1
  C  C26  1  0.49813365  0.11710934  0.22888859  1
  C  C27  1  0.88376205  0.50109669  0.27098670  1
  C  C28  1  0.50186876  0.88288349  0.77111415  1
  C  C29  1  0.11623548  0.49890685  0.72901121  1
  C  C30  1  0.46864888  0.14296164  0.35675316  1
  C  C31  1  0.85589906  0.53034283  0.14394073  1
  C  C32  1  0.53135270  0.85703127  0.64324955  1
  C  C33  1  0.14410318  0.46965818  0.85605646  1
  C  C34  1  0.35438516  0.13755922  0.41209588  1
  C  C35  1  0.86074350  0.64426486  0.08761748  1
  C  C36  1  0.64561393  0.86243716  0.58790544  1
  C  C37  1  0.13926202  0.35573545  0.91238001  1
  C  C38  1  0.26808753  0.10645107  0.33739049  1
  C  C39  1  0.89218433  0.73046232  0.16157133  1
  C  C40  1  0.73191036  0.89354822  0.66261017  1
  C  C41  1  0.10782180  0.26953791  0.83842816  1
  C  C42  1  0.29456414  0.08477701  0.21053847  1
  C  C43  1  0.91778035  0.70441888  0.28788753  1
  C  C44  1  0.70543610  0.91522096  0.78946222  1
  C  C45  1  0.08221964  0.29558310  0.71211236  1
  C  C46  1  0.40851970  0.09058288  0.15426471  1
  C  C47  1  0.91171712  0.59064872  0.34454266  1
  C  C48  1  0.59148285  0.90941256  0.84573767  1
  C  C49  1  0.08827860  0.40935611  0.65545729  1
  N  N50  1  0.15501807  0.08421797  0.36400083  1
  N  N51  1  0.91008986  0.84563733  0.13539746  1
  N  N52  1  0.84497755  0.91578577  0.63599932  1
  N  N53  1  0.08991848  0.15436030  0.86460045  1
  N  N54  1  0.11559958  0.04623296  0.26215804  1
  N  N55  1  0.95270211  0.88449008  0.23836858  1
  N  N56  1  0.88439540  0.95377176  0.73784259  1
  N  N57  1  0.04730101  0.11551029  0.76163154  1
  N  N58  1  0.19488961  0.05127564  0.16604757  1
  N  N59  1  0.95072889  0.80522585  0.33215355  1
  N  N60  1  0.80510853  0.94872554  0.83395308  1
  N  N61  1  0.04926981  0.19477650  0.66784689  1
  O  O62  1  0.92848759  0.11512810  0.05576104  1
  O  O63  1  0.88991929  0.07248113  0.43605191  1
  O  O64  1  0.07151296  0.88487119  0.94423683  1
  O  O65  1  0.11007901  0.92752318  0.56394670  1
  O  O66  1  0.69913330  0.14878894  0.24295272  1
  O  O67  1  0.85263631  0.30066858  0.25117863  1
  O  O68  1  0.30086700  0.85120710  0.75704885  1
  O  O69  1  0.14735929  0.69933520  0.74882122  1
  O  O70  1  0.65465711  0.08135812  0.05956980  1
  O  O71  1  0.92052392  0.34190782  0.43679127  1
  O  O72  1  0.34534521  0.91863242  0.94043301  1
  O  O73  1  0.07947124  0.65809587  0.56320765  1
