# generated using pymatgen
data_VFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87891426
_cell_length_b   10.87369273
_cell_length_c   10.85903141
_cell_angle_alpha   89.23927452
_cell_angle_beta   89.05068279
_cell_angle_gamma   63.72755557
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeNiH8C14(NO)6
_chemical_formula_sum   'V2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1151.67895361
_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
  Fe  Fe0  1  0.90171399  0.09812016  0.24521364  1
  Fe  Fe1  1  0.09828458  0.90188419  0.75478473  1
  Ni  Ni2  1  0.85943662  0.98039335  -0.00325728  1
  V  V3  1  0.01224904  0.14558257  0.49766169  1
  Ni  Ni4  1  0.14056552  0.01960308  1.00325605  1
  V  V5  1  0.98774815  0.85442198  0.50233790  1
  H  H6  1  0.53722891  0.16911133  0.41274666  1
  H  H7  1  0.83153847  0.46416567  0.08844638  1
  H  H8  1  0.46277349  0.83087854  0.58725796  1
  H  H9  1  0.16846604  0.53583537  0.91155052  1
  H  H10  1  0.33339605  0.15653374  0.51141502  1
  H  H11  1  0.84230024  0.66935606  0.99161269  1
  H  H12  1  0.66660095  0.84346399  0.48858666  1
  H  H13  1  0.15770760  0.33064384  0.00838485  1
  H  H14  1  0.42594539  0.07487705  0.05671174  1
  H  H15  1  0.92778042  0.57395456  0.44468026  1
  H  H16  1  0.57405582  0.92511938  0.94329039  1
  H  H17  1  0.07221109  0.42605145  0.55531996  1
  H  H18  1  0.87482810  0.20911590  0.02853532  1
  H  H19  1  0.78559932  0.12507132  0.46548307  1
  H  H20  1  0.12517341  0.79088318  0.97146069  1
  H  H21  1  0.21439913  0.87493282  0.53451363  1
  C  C22  1  0.62637120  0.11683041  0.17578680  1
  C  C23  1  0.88241668  0.37702922  0.32693278  1
  C  C24  1  0.37363171  0.88316201  0.82421725  1
  C  C25  1  0.11757902  0.62297517  0.67306522  1
  C  C26  1  0.49755282  0.11815334  0.22953464  1
  C  C27  1  0.88280352  0.50306017  0.27209986  1
  C  C28  1  0.50245024  0.88183873  0.77046916  1
  C  C29  1  0.11719449  0.49694376  0.72789808  1
  C  C30  1  0.46875324  0.14433459  0.35698356  1
  C  C31  1  0.85620956  0.53273565  0.14443620  1
  C  C32  1  0.53124789  0.85565759  0.64301981  1
  C  C33  1  0.14379292  0.46726665  0.85556182  1
  C  C34  1  0.35494506  0.13911650  0.41314205  1
  C  C35  1  0.86119940  0.64688990  0.08945686  1
  C  C36  1  0.64505334  0.86087949  0.58685997  1
  C  C37  1  0.13880556  0.35311109  0.91054108  1
  C  C38  1  0.26882936  0.10909537  0.33821523  1
  C  C39  1  0.89274945  0.73287730  0.16424994  1
  C  C40  1  0.73116853  0.89090350  0.66178513  1
  C  C41  1  0.10725485  0.26712344  0.83574893  1
  C  C42  1  0.29482967  0.08456063  0.21159679  1
  C  C43  1  0.91644646  0.70539040  0.29054250  1
  C  C44  1  0.70516964  0.91543753  0.78840345  1
  C  C45  1  0.08355244  0.29461228  0.70945686  1
  C  C46  1  0.40847461  0.09105214  0.15521168  1
  C  C47  1  0.91080066  0.59174665  0.34635642  1
  C  C48  1  0.59152705  0.90894293  0.84478987  1
  C  C49  1  0.08919482  0.40825759  0.65364303  1
  N  N50  1  0.15413408  0.09008647  0.36422141  1
  N  N51  1  0.91442450  0.84625485  0.13796856  1
  N  N52  1  0.84586004  0.90991828  0.63577748  1
  N  N53  1  0.08558540  0.15374261  0.86203060  1
  N  N54  1  0.11983634  0.04283434  0.26132094  1
  N  N55  1  0.96000047  0.88013467  0.23846066  1
  N  N56  1  0.88015670  0.95717390  0.73867774  1
  N  N57  1  0.04000690  0.11986333  0.76153978  1
  N  N58  1  0.19543974  0.05032936  0.16709587  1
  N  N59  1  0.95167245  0.80402782  0.33502834  1
  N  N60  1  0.80455574  0.94967491  0.83290277  1
  N  N61  1  0.04832811  0.19597369  0.66497191  1
  O  O62  1  0.92656641  0.11508674  0.05702329  1
  O  O63  1  0.88353543  0.07234571  0.44719985  1
  O  O64  1  0.07343355  0.88491221  0.94297469  1
  O  O65  1  0.11646381  0.92765794  0.55279897  1
  O  O66  1  0.69672174  0.14810102  0.25075503  1
  O  O67  1  0.84795724  0.30516454  0.25803627  1
  O  O68  1  0.30328023  0.85189231  0.74924797  1
  O  O69  1  0.15203657  0.69484115  0.74196169  1
  O  O70  1  0.65710568  0.08224453  0.06368438  1
  O  O71  1  0.91891178  0.34668162  0.44075325  1
  O  O72  1  0.34289771  0.91774456  0.93632043  1
  O  O73  1  0.08108336  0.65332261  0.55924501  1
