# generated using pymatgen
data_FeH4C4(N4O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46085311
_cell_length_b   6.51602517
_cell_length_c   9.92128901
_cell_angle_alpha   89.99992502
_cell_angle_beta   90.00047569
_cell_angle_gamma   101.26370696
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH4C4(N4O)2
_chemical_formula_sum   'Fe2 H8 C8 N16 O4'
_cell_volume   409.63209964
_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  0.99999707  0.99999505  0.50000024  1
  Fe  Fe1  1  0.00000281  0.50000377  0.99999914  1
  H  H2  1  0.75217383  0.50697303  0.68444292  1
  H  H3  1  0.24783289  0.99302967  0.18444130  1
  H  H4  1  0.24780234  0.49301781  0.31556845  1
  H  H5  1  0.75218309  0.00698190  0.81555953  1
  H  H6  1  0.43063094  0.82951472  0.40973722  1
  H  H7  1  0.56936264  0.67048634  0.90973067  1
  H  H8  1  0.56935328  0.17047653  0.59027030  1
  H  H9  1  0.43065106  0.32952459  0.09026765  1
  C  C10  1  0.64253492  0.50379737  0.60142698  1
  C  C11  1  0.35746858  0.99620486  0.10142433  1
  C  C12  1  0.35744659  0.49619216  0.39858139  1
  C  C13  1  0.64254562  0.00380737  0.89857537  1
  C  C14  1  0.46389732  0.68297558  0.44757000  1
  C  C15  1  0.53609641  0.81702486  0.94756482  1
  C  C16  1  0.53608610  0.31701536  0.55243739  1
  C  C17  1  0.46391705  0.18298631  0.05243413  1
  N  N18  1  0.98083659  0.74815458  0.36654168  1
  N  N19  1  0.01915505  0.75184179  0.86654437  1
  N  N20  1  0.01914785  0.25183840  0.63345459  1
  N  N21  1  0.98085687  0.24816250  0.13345362  1
  N  N22  1  0.90099024  0.69762616  0.26089175  1
  N  N23  1  0.09901642  0.80237520  0.76089026  1
  N  N24  1  0.09901375  0.30237505  0.73910728  1
  N  N25  1  0.90098625  0.19762253  0.23910525  1
  N  N26  1  0.61029679  0.68781360  0.54711295  1
  N  N27  1  0.38970309  0.81218848  0.04710933  1
  N  N28  1  0.38969026  0.31217778  0.45289259  1
  N  N29  1  0.61030882  0.18782176  0.95288917  1
  N  N30  1  0.83469281  0.64947328  0.15158299  1
  N  N31  1  0.16531143  0.85052618  0.65158925  1
  N  N32  1  0.16531903  0.35052609  0.84840728  1
  N  N33  1  0.83467599  0.14947298  0.34840286  1
  O  O34  1  0.71719457  0.87161730  0.59325216  1
  O  O35  1  0.28281013  0.62838509  0.09325162  1
  O  O36  1  0.28279847  0.12837250  0.40674895  1
  O  O37  1  0.71719927  0.37162720  0.90674498  1
