# generated using pymatgen
data_VFeH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40677182
_cell_length_b   9.52427233
_cell_length_c   9.52774327
_cell_angle_alpha   81.78384361
_cell_angle_beta   75.39673265
_cell_angle_gamma   75.79369870
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeH20C28(N3O2)4
_chemical_formula_sum   'V1 Fe1 H20 C28 N12 O8'
_cell_volume   797.78485911
_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
  Fe  Fe0  1  0.74053404  0.94739170  0.71687597  1
  V  V1  1  0.23945694  0.71168353  0.95135822  1
  H  H2  1  0.39016611  0.01410348  0.60957849  1
  H  H3  1  0.88870538  0.61258444  0.02520853  1
  H  H4  1  0.59744632  0.49130949  0.77833921  1
  H  H5  1  0.10434955  0.77364576  0.48357532  1
  H  H6  1  0.87264290  0.87673960  0.17523713  1
  H  H7  1  0.36950548  0.17920366  0.88232618  1
  H  H8  1  0.07703872  0.30921847  0.24833337  1
  H  H9  1  0.57933148  0.24401004  0.29676397  1
  H  H10  1  0.58867242  0.92487791  0.08192813  1
  H  H11  1  0.08545557  0.08848794  0.92452620  1
  H  H12  1  0.96153219  0.11313198  0.40975037  1
  H  H13  1  0.46796040  0.40822288  0.10087312  1
  H  H14  1  0.78896652  0.63245737  0.53459087  1
  H  H15  1  0.29426881  0.53109041  0.62154567  1
  H  H16  1  0.21163304  0.03113075  0.44919059  1
  H  H17  1  0.70938606  0.45498573  0.03311382  1
  H  H18  1  0.30984835  0.98512239  0.18635431  1
  H  H19  1  0.80669756  0.19303065  0.98262178  1
  H  H20  1  0.98629122  0.56770692  0.30723986  1
  H  H21  1  0.48950819  0.30277524  0.55534314  1
  C  C22  1  0.43048398  0.99379562  0.49543928  1
  C  C23  1  0.92878525  0.49915601  0.00258856  1
  C  C24  1  0.44078048  0.90047223  0.86744947  1
  C  C25  1  0.94695514  0.86611390  0.90310124  1
  C  C26  1  0.54369884  0.74955957  0.83569633  1
  C  C27  1  0.04671688  0.82224385  0.75357964  1
  C  C28  1  0.98919334  0.33670495  0.34608569  1
  C  C29  1  0.49325373  0.34248102  0.32452167  1
  C  C30  1  0.54295009  0.94305209  0.19612006  1
  C  C31  1  0.03966330  0.20187685  0.94522343  1
  C  C32  1  0.82026002  0.26416079  0.56184234  1
  C  C33  1  0.32787358  0.55939965  0.25360048  1
  C  C34  1  0.92928606  0.22597175  0.43567859  1
  C  C35  1  0.43541073  0.43333373  0.21409982  1
  C  C36  1  0.82855142  0.52084494  0.50557472  1
  C  C37  1  0.33448848  0.50204561  0.50982088  1
  C  C38  1  0.77118797  0.40915567  0.59522199  1
  C  C39  1  0.27853592  0.59244729  0.39855464  1
  C  C40  1  0.63947906  0.93192654  0.28896775  1
  C  C41  1  0.13696730  0.29338496  0.93872173  1
  C  C42  1  0.33285041  0.00355214  0.40415952  1
  C  C43  1  0.83046323  0.40937782  0.00730798  1
  C  C44  1  0.38805074  0.97841337  0.25577738  1
  C  C45  1  0.88494371  0.26188461  0.97926967  1
  C  C46  1  0.93874455  0.48262968  0.37966754  1
  C  C47  1  0.44299814  0.37579381  0.47069592  1
  C  C48  1  0.58522645  0.95716646  0.43592378  1
  C  C49  1  0.08301358  0.43870501  0.96832565  1
  N  N50  1  0.83379086  0.91238471  0.39272367  1
  N  N51  1  0.33264999  0.39434731  0.92441548  1
  N  N52  1  0.64592759  0.26821450  0.76681649  1
  N  N53  1  0.15380902  0.76551291  0.26019516  1
  N  N54  1  0.71060040  0.94263500  0.49440774  1
  N  N55  1  0.20889002  0.49652325  0.95681357  1
  N  N56  1  0.66481088  0.40326477  0.72326542  1
  N  N57  1  0.17351842  0.72127845  0.39404174  1
  N  N58  1  0.73916120  0.18228808  0.67165226  1
  N  N59  1  0.24760834  0.66999937  0.17260210  1
  N  N60  1  0.79314488  0.90381597  0.27029736  1
  N  N61  1  0.29082217  0.27411257  0.91181737  1
  O  O62  1  0.47724787  0.64276290  0.87352885  1
  O  O63  1  0.98818561  0.85860769  0.64437087  1
  O  O64  1  0.49799303  0.01055401  0.82730975  1
  O  O65  1  1.00898713  0.82093774  0.01131384  1
  O  O66  1  0.30369101  0.90288761  0.93134198  1
  O  O67  1  0.81549960  0.94003861  0.90992945  1
  O  O68  1  0.67956975  0.74163228  0.77389615  1
  O  O69  1  0.18052445  0.75099985  0.75293248  1
