# generated using pymatgen
data_FeH16C26(N4O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05868798
_cell_length_b   7.32277334
_cell_length_c   13.73660260
_cell_angle_alpha   78.72690136
_cell_angle_beta   84.17295543
_cell_angle_gamma   68.44385981
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH16C26(N4O)2
_chemical_formula_sum   'Fe1 H16 C26 N8 O2'
_cell_volume   647.28812398
_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  0.00000539  0.99999872  0.99999997  1
  H  H1  1  0.80164252  0.41307891  0.98892630  1
  H  H2  1  0.19838031  0.58691720  0.01107617  1
  H  H3  1  0.88628110  0.78649900  0.66628299  1
  H  H4  1  0.11371980  0.21348935  0.33371679  1
  H  H5  1  0.84140509  0.68865435  0.51033720  1
  H  H6  1  0.15858820  0.31134474  0.48965995  1
  H  H7  1  0.18773359  0.88824153  0.56897460  1
  H  H8  1  0.81225941  0.11176647  0.43102793  1
  H  H9  1  0.23263565  0.98962729  0.72350253  1
  H  H10  1  0.76736789  0.01037395  0.27650009  1
  H  H11  1  0.93913290  0.54018293  0.83486033  1
  H  H12  1  0.06088329  0.45979849  0.16513817  1
  H  H13  1  0.72088758  0.48034824  0.81720562  1
  H  H14  1  0.27910797  0.51966306  0.18279693  1
  H  H15  1  0.97275634  0.30877097  0.79988056  1
  H  H16  1  0.02722507  0.69121732  0.20011845  1
  C  C17  1  0.56227537  0.88900137  0.70757627  1
  C  C18  1  0.43772627  0.11099773  0.29242420  1
  C  C19  1  0.73394315  0.80744153  0.64461229  1
  C  C20  1  0.26605450  0.19255726  0.35538602  1
  C  C21  1  0.70890312  0.74990136  0.55849061  1
  C  C22  1  0.29109094  0.25010012  0.44150782  1
  C  C23  1  0.51169207  0.77361518  0.53042622  1
  C  C24  1  0.48829996  0.22639196  0.46957289  1
  C  C25  1  0.34055142  0.86289869  0.59117538  1
  C  C26  1  0.65944488  0.13710675  0.40882543  1
  C  C27  1  0.36530014  0.91785569  0.67790644  1
  C  C28  1  0.63470172  0.08214181  0.32209573  1
  C  C29  1  0.58076756  0.94267991  0.80016604  1
  C  C30  1  0.41923980  0.05731910  0.19983430  1
  C  C31  1  0.76498291  0.94151861  0.83087174  1
  C  C32  1  0.23502494  0.05847953  0.16912669  1
  C  C33  1  0.41765177  0.97180666  0.86992029  1
  C  C34  1  0.58235860  0.02818336  0.13008257  1
  C  C35  1  0.48251069  0.71128166  0.44271592  1
  C  C36  1  0.51747622  0.28873014  0.55728418  1
  C  C37  1  0.64566178  0.61771054  0.38068739  1
  C  C38  1  0.35433259  0.38229724  0.61931461  1
  C  C39  1  0.28620622  0.74011240  0.41546643  1
  C  C40  1  0.71378355  0.25989971  0.58453173  1
  C  C41  1  0.87704603  0.42076037  0.84359468  1
  C  C42  1  0.12295228  0.57923368  0.15640517  1
  N  N43  1  0.91639074  0.93912508  0.86105035  1
  N  N44  1  0.08361922  0.06087551  0.13894679  1
  N  N45  1  0.28191600  0.99196780  0.92884759  1
  N  N46  1  0.71809434  0.00802578  0.07115470  1
  N  N47  1  0.78011102  0.53903586  0.32835913  1
  N  N48  1  0.21987878  0.46097672  0.67163965  1
  N  N49  1  0.12243711  0.76313666  0.39278954  1
  N  N50  1  0.87755361  0.23687382  0.60720718  1
  O  O51  1  0.88493773  0.32197864  0.94553279  1
  O  O52  1  0.11505881  0.67801357  0.05446617  1
