# generated using pymatgen
data_FeH4C6(N3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00647929
_cell_length_b   6.00634971
_cell_length_c   14.16020884
_cell_angle_alpha   102.16589877
_cell_angle_beta   102.16476402
_cell_angle_gamma   90.03980864
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH4C6(N3O2)2
_chemical_formula_sum   'Fe2 H8 C12 N12 O8'
_cell_volume   487.62753395
_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  0.12477150  0.87522171  0.24999896  1
  Fe  Fe1  1  0.87521786  0.12478709  0.75000076  1
  H  H2  1  0.28824132  0.76398092  0.02728683  1
  H  H3  1  0.76436996  0.73968876  0.52722054  1
  H  H4  1  0.73968482  0.76436542  0.02721503  1
  H  H5  1  0.76398492  0.28823585  0.52728835  1
  H  H6  1  0.71175099  0.23602231  0.97271110  1
  H  H7  1  0.23601613  0.71176825  0.47271401  1
  H  H8  1  0.26030650  0.23563281  0.97278103  1
  H  H9  1  0.23563283  0.26031592  0.47278290  1
  C  C10  1  0.62044810  0.87058914  0.24112246  1
  C  C11  1  0.87059217  0.62045170  0.74112679  1
  C  C12  1  0.37954754  0.12940930  0.75887435  1
  C  C13  1  0.12941020  0.37955112  0.25887632  1
  C  C14  1  0.43079778  0.79517912  0.08981954  1
  C  C15  1  0.79524294  0.65943022  0.58978915  1
  C  C16  1  0.65942677  0.79523430  0.08978426  1
  C  C17  1  0.79518837  0.43079626  0.58982186  1
  C  C18  1  0.56919473  0.20481585  0.91017830  1
  C  C19  1  0.20481653  0.56920812  0.41018048  1
  C  C20  1  0.34056570  0.20476113  0.91021219  1
  C  C21  1  0.20476075  0.34057411  0.41021415  1
  N  N22  1  0.67184805  0.92213572  0.34425351  1
  N  N23  1  0.92213650  0.67184193  0.84425779  1
  N  N24  1  0.32815658  0.07786391  0.65574334  1
  N  N25  1  0.07786878  0.32815269  0.15574522  1
  N  N26  1  0.40500468  0.84289472  0.18569715  1
  N  N27  1  0.84299005  0.78064478  0.68563573  1
  N  N28  1  0.78063679  0.84298699  0.18562962  1
  N  N29  1  0.84289896  0.40500446  0.68569863  1
  N  N30  1  0.59498940  0.15710189  0.81430120  1
  N  N31  1  0.15710517  0.59499930  0.31430328  1
  N  N32  1  0.21935695  0.15701013  0.81436622  1
  N  N33  1  0.15701213  0.21935960  0.31436793  1
  O  O34  1  0.87884234  0.94350309  0.38733203  1
  O  O35  1  0.94388352  0.50788596  0.88742881  1
  O  O36  1  0.50790642  0.94388760  0.38743140  1
  O  O37  1  0.94351073  0.87883681  0.88734328  1
  O  O38  1  0.12116573  0.05648834  0.61266021  1
  O  O39  1  0.05650301  0.12115494  0.11266397  1
  O  O40  1  0.49210506  0.05612053  0.61256921  1
  O  O41  1  0.05611623  0.49210252  0.11257091  1
