# generated using pymatgen
data_FeCoH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89759224
_cell_length_b   11.64910231
_cell_length_c   12.32613081
_cell_angle_alpha   118.37894992
_cell_angle_beta   100.10052561
_cell_angle_gamma   89.93188322
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoH28C32(NO3)4
_chemical_formula_sum   'Fe1 Co1 H28 C32 N4 O12'
_cell_volume   977.82901695
_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
  Co  Co0  1  0.99998841  0.99998941  0.49998909  1
  Fe  Fe1  1  0.50000231  0.50000077  0.50000132  1
  H  H2  1  0.84395112  0.90977352  0.62507729  1
  H  H3  1  0.65558704  0.28129238  0.37325441  1
  H  H4  1  0.15605484  0.09022971  0.37492478  1
  H  H5  1  0.34441670  0.71870877  0.62674678  1
  H  H6  1  0.02524022  0.84623041  0.61823440  1
  H  H7  1  0.47414579  0.22375866  0.37906936  1
  H  H8  1  0.97476284  0.15377205  0.38176609  1
  H  H9  1  0.52585765  0.77624228  0.62093170  1
  H  H10  1  0.76559147  0.94196887  0.25459154  1
  H  H11  1  0.73424017  0.68922267  0.75166084  1
  H  H12  1  0.23440567  0.05803001  0.74540432  1
  H  H13  1  0.26576069  0.31077906  0.24834526  1
  H  H14  1  0.57710068  0.75349856  0.07832346  1
  H  H15  1  0.92224248  0.67556076  0.92678537  1
  H  H16  1  0.42289696  0.24649894  0.92167101  1
  H  H17  1  0.07775537  0.32443906  0.07322039  1
  H  H18  1  0.79633640  0.51450888  0.24136368  1
  H  H19  1  0.70596398  0.27092753  0.75778251  1
  H  H20  1  0.20365538  0.48548868  0.75863268  1
  H  H21  1  0.29403625  0.72907112  0.24221740  1
  H  H22  1  0.98882025  0.71066454  0.40271362  1
  H  H23  1  0.51350979  0.30641809  0.59842849  1
  H  H24  1  0.01117403  0.28933325  0.59728466  1
  H  H25  1  0.48649257  0.69358222  0.40157199  1
  H  H26  1  0.57144652  0.41215218  0.05579101  1
  H  H27  1  0.93211720  0.35472127  0.94407638  1
  H  H28  1  0.42854912  0.58784665  0.94420509  1
  H  H29  1  0.06788172  0.64527632  0.05592524  1
  C  C30  1  0.76777369  0.84551613  0.24811036  1
  C  C31  1  0.73225493  0.59855131  0.75689677  1
  C  C32  1  0.23222196  0.15448254  0.75188480  1
  C  C33  1  0.26774576  0.40144997  0.24310776  1
  C  C34  1  0.66246201  0.73954753  0.14999264  1
  C  C35  1  0.83760751  0.58975324  0.85411673  1
  C  C36  1  0.33753412  0.26045060  0.85000237  1
  C  C37  1  0.16239200  0.41024655  0.14588764  1
  C  C38  1  0.66758485  0.61610787  0.14548356  1
  C  C39  1  0.83300764  0.46957290  0.85620857  1
  C  C40  1  0.33241069  0.38389065  0.85451256  1
  C  C41  1  0.16699166  0.53042574  0.14379367  1
  C  C42  1  0.78647776  0.60728272  0.24020189  1
  C  C43  1  0.71478258  0.36568271  0.76047290  1
  C  C44  1  0.21351630  0.39271516  0.75979489  1
  C  C45  1  0.28521775  0.63431642  0.23952810  1
  C  C46  1  0.89067618  0.71743011  0.33250264  1
  C  C47  1  0.61050798  0.38437594  0.66927137  1
  C  C48  1  0.10931840  0.28256695  0.66749447  1
  C  C49  1  0.38949334  0.61562425  0.33072999  1
  C  C50  1  0.62131563  0.03978523  0.50548677  1
  C  C51  1  0.87916960  0.53453822  0.49302657  1
  C  C52  1  0.37868572  0.96021845  0.49451598  1
  C  C53  1  0.12083368  0.46546347  0.50697574  1
  C  C54  1  0.55712062  0.94949526  0.54493006  1
  C  C55  1  0.94292212  0.40402175  0.45117624  1
  C  C56  1  0.44288122  0.05050840  0.45507244  1
  C  C57  1  0.05708111  0.59597956  0.54882594  1
  C  C58  1  0.55857673  0.50167850  0.04851788  1
  C  C59  1  0.94242407  0.45189421  0.95183113  1
  C  C60  1  0.44141867  0.49832041  0.95147798  1
  C  C61  1  0.05757469  0.54810341  0.04817087  1
  N  N62  1  0.87715605  0.83638002  0.34063205  1
  N  N63  1  0.62358227  0.49648336  0.66341818  1
  N  N64  1  0.12283723  0.16361601  0.65936247  1
  N  N65  1  0.37641941  0.50351768  0.33658493  1
  O  O66  1  0.96687648  0.92282685  0.62068809  1
  O  O67  1  0.53248858  0.29829070  0.37733952  1
  O  O68  1  0.03313090  0.07717974  0.37931861  1
  O  O69  1  0.46751537  0.70171104  0.62266280  1
  O  O70  1  0.76550051  0.09417222  0.51721411  1
  O  O71  1  0.73462662  0.57752340  0.48339458  1
  O  O72  1  0.23450176  0.90583215  0.48279134  1
  O  O73  1  0.26537677  0.42247819  0.51660743  1
  O  O74  1  0.62826444  0.89668012  0.60759578  1
  O  O75  1  0.87195801  0.28829749  0.39257552  1
  O  O76  1  0.37173884  0.10332003  0.39240327  1
  O  O77  1  0.12804516  0.71170393  0.60742334  1
