# generated using pymatgen
data_VFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87019262
_cell_length_b   10.86471551
_cell_length_c   10.85563474
_cell_angle_alpha   89.25237692
_cell_angle_beta   89.04772415
_cell_angle_gamma   63.76418258
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeNiH8C14(NO)6
_chemical_formula_sum   'V2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1149.80947121
_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  0.90516687  0.09500216  0.24603195  1
  Ni  Ni1  1  0.09483207  0.90500050  0.75396542  1
  Fe  Fe2  1  0.85544739  0.99552557  -0.00592989  1
  V  V3  1  0.01117621  0.14637312  0.49907892  1
  Fe  Fe4  1  0.14455299  0.00447206  1.00592951  1
  V  V5  1  0.98882005  0.85363141  0.50092022  1
  H  H6  1  0.53764194  0.16849906  0.41494852  1
  H  H7  1  0.83086882  0.46373439  0.08675036  1
  H  H8  1  0.46235956  0.83149086  0.58505645  1
  H  H9  1  0.16913657  0.53626753  0.91324664  1
  H  H10  1  0.33369220  0.15551558  0.51417303  1
  H  H11  1  0.84335706  0.66834324  0.99028021  1
  H  H12  1  0.66630221  0.84448310  0.48582756  1
  H  H13  1  0.15664975  0.33165848  0.00971823  1
  H  H14  1  0.42453883  0.07394377  0.05911467  1
  H  H15  1  0.92966338  0.57361100  0.44329757  1
  H  H16  1  0.57546448  0.92605298  0.94088685  1
  H  H17  1  0.07032885  0.42639484  0.55670341  1
  H  H18  1  0.87721780  0.21475002  0.04583866  1
  H  H19  1  0.78668573  0.12313061  0.45511395  1
  H  H20  1  0.12278313  0.78525105  0.95415862  1
  H  H21  1  0.21331119  0.87687357  0.54488348  1
  C  C22  1  0.62559132  0.11718598  0.17609297  1
  C  C23  1  0.88356968  0.37433370  0.32513623  1
  C  C24  1  0.37441089  0.88280356  0.82391048  1
  C  C25  1  0.11642631  0.62567032  0.67486177  1
  C  C26  1  0.49744489  0.11775701  0.23143385  1
  C  C27  1  0.88383538  0.50154771  0.27074346  1
  C  C28  1  0.50255748  0.88223479  0.76857039  1
  C  C29  1  0.11616318  0.49845590  0.72925541  1
  C  C30  1  0.46905580  0.14381771  0.35907649  1
  C  C31  1  0.85634266  0.53160017  0.14325601  1
  C  C32  1  0.53094603  0.85617416  0.64092731  1
  C  C33  1  0.14366082  0.46840196  0.85674238  1
  C  C34  1  0.35530792  0.13810965  0.41583754  1
  C  C35  1  0.86219168  0.64563942  0.08814175  1
  C  C36  1  0.64468988  0.86188678  0.58416379  1
  C  C37  1  0.13781362  0.35436260  0.91185692  1
  C  C38  1  0.26900077  0.10756480  0.34167938  1
  C  C39  1  0.89434975  0.73118775  0.16282238  1
  C  C40  1  0.73099745  0.89243406  0.65832025  1
  C  C41  1  0.10565505  0.26881398  0.83717696  1
  C  C42  1  0.29460358  0.08428678  0.21497653  1
  C  C43  1  0.91759065  0.70449796  0.28926846  1
  C  C44  1  0.70539719  0.91570988  0.78502354  1
  C  C45  1  0.08240627  0.29550684  0.71073242  1
  C  C46  1  0.40780851  0.09062171  0.15768352  1
  C  C47  1  0.91212442  0.59067123  0.34508664  1
  C  C48  1  0.59219339  0.90937324  0.84231821  1
  C  C49  1  0.08787177  0.40933334  0.65491345  1
  N  N50  1  0.15204485  0.09207699  0.36690464  1
  N  N51  1  0.91237107  0.84629809  0.13692011  1
  N  N52  1  0.84795013  0.90792731  0.63309306  1
  N  N53  1  0.08764428  0.15369725  0.86307944  1
  N  N54  1  0.11115310  0.05385342  0.26290736  1
  N  N55  1  0.94737392  0.88879267  0.23884888  1
  N  N56  1  0.88884155  0.94615291  0.73709005  1
  N  N57  1  0.05263115  0.11120777  0.76115257  1
  N  N58  1  0.19279018  0.05499024  0.17018940  1
  N  N59  1  0.94721530  0.80700142  0.33440902  1
  N  N60  1  0.80720687  0.94501239  0.82980863  1
  N  N61  1  0.05278293  0.19300185  0.66559244  1
  O  O62  1  0.93123992  0.11745459  0.06254343  1
  O  O63  1  0.88595663  0.06980907  0.44487126  1
  O  O64  1  0.06876032  0.88254629  0.93745334  1
  O  O65  1  0.11404043  0.93019516  0.55512840  1
  O  O66  1  0.69918505  0.14702945  0.24855236  1
  O  O67  1  0.85177172  0.30095812  0.25553541  1
  O  O68  1  0.30081545  0.85296603  0.75144799  1
  O  O69  1  0.14822435  0.69904681  0.74446102  1
  O  O70  1  0.65260733  0.08443527  0.06276722  1
  O  O71  1  0.91713709  0.34608196  0.43986488  1
  O  O72  1  0.34739694  0.91554765  0.93723729  1
  O  O73  1  0.08285651  0.65392220  0.56013342  1
