# generated using pymatgen
data_FeCoH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89760395
_cell_length_b   11.64898986
_cell_length_c   12.31860995
_cell_angle_alpha   118.31458307
_cell_angle_beta   100.13180931
_cell_angle_gamma   89.87946938
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoH28C32(NO3)4
_chemical_formula_sum   'Fe1 Co1 H28 C32 N4 O12'
_cell_volume   977.81559915
_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  0.99999962  0.99999959  0.49999885  1
  Co  Co1  1  0.50000335  0.50000007  0.50000323  1
  H  H2  1  0.84467437  0.90922629  0.62708708  1
  H  H3  1  0.65627247  0.28408578  0.37526831  1
  H  H4  1  0.15532478  0.09077284  0.37291123  1
  H  H5  1  0.34372875  0.71591515  0.62473185  1
  H  H6  1  0.02593245  0.84531588  0.62091305  1
  H  H7  1  0.47483676  0.22745417  0.38168210  1
  H  H8  1  0.97406765  0.15468400  0.37908519  1
  H  H9  1  0.52516553  0.77254623  0.61831831  1
  H  H10  1  0.76385189  0.93801872  0.25097617  1
  H  H11  1  0.73231062  0.68945497  0.74782714  1
  H  H12  1  0.23614635  0.06198094  0.74902169  1
  H  H13  1  0.26769134  0.31054638  0.25217820  1
  H  H14  1  0.57530432  0.74952343  0.07572510  1
  H  H15  1  0.92011149  0.67706959  0.92405644  1
  H  H16  1  0.42469482  0.25047661  0.92427152  1
  H  H17  1  0.07988695  0.32293022  0.07594994  1
  H  H18  1  0.79625793  0.51163829  0.24069503  1
  H  H19  1  0.70587809  0.27306411  0.75693955  1
  H  H20  1  0.20373614  0.48836137  0.75930250  1
  H  H21  1  0.29412302  0.72693444  0.24306088  1
  H  H22  1  0.98795700  0.70657261  0.40074078  1
  H  H23  1  0.51259922  0.30843221  0.59646127  1
  H  H24  1  0.01203786  0.29342627  0.59925699  1
  H  H25  1  0.48740425  0.69156747  0.40353866  1
  H  H26  1  0.56964312  0.40947227  0.05401000  1
  H  H27  1  0.93024860  0.35567306  0.94221070  1
  H  H28  1  0.43035333  0.59052764  0.94598677  1
  H  H29  1  0.06975127  0.64432500  0.05779195  1
  C  C30  1  0.76665549  0.84170497  0.24483236  1
  C  C31  1  0.73098936  0.59902867  0.75346126  1
  C  C32  1  0.23334221  0.15829466  0.75516528  1
  C  C33  1  0.26901283  0.40097215  0.24654348  1
  C  C34  1  0.66116742  0.73576324  0.14741955  1
  C  C35  1  0.83608682  0.59100730  0.85147161  1
  C  C36  1  0.33883050  0.26423651  0.85257748  1
  C  C37  1  0.16391302  0.40899248  0.14853303  1
  C  C38  1  0.66720864  0.61284761  0.14393852  1
  C  C39  1  0.83247284  0.47134065  0.85463649  1
  C  C40  1  0.33278786  0.38715253  0.85605848  1
  C  C41  1  0.16752704  0.52865819  0.14536616  1
  C  C42  1  0.78643116  0.60410485  0.23882701  1
  C  C43  1  0.71466585  0.36748835  0.75905269  1
  C  C44  1  0.21356397  0.39589452  0.76117020  1
  C  C45  1  0.28533555  0.63251040  0.24094870  1
  C  C46  1  0.89041868  0.71409279  0.33048306  1
  C  C47  1  0.61019408  0.38562657  0.66716535  1
  C  C48  1  0.10957686  0.28590624  0.66951467  1
  C  C49  1  0.38980834  0.61437289  0.33283594  1
  C  C50  1  0.62071631  0.04135032  0.50696344  1
  C  C51  1  0.87856522  0.53435990  0.49447625  1
  C  C52  1  0.37928235  0.95864996  0.49303616  1
  C  C53  1  0.12143686  0.46564180  0.50552603  1
  C  C54  1  0.55721089  0.95288956  0.54873623  1
  C  C55  1  0.94313686  0.40437149  0.45429936  1
  C  C56  1  0.44278788  0.04711123  0.45126367  1
  C  C57  1  0.05686505  0.59562989  0.54570314  1
  C  C58  1  0.55807661  0.49960052  0.04767174  1
  C  C59  1  0.94186663  0.45321196  0.95097384  1
  C  C60  1  0.44192033  0.50039953  0.95232530  1
  C  C61  1  0.05813220  0.54678586  0.04902831  1
  N  N62  1  0.87649870  0.83249879  0.33734904  1
  N  N63  1  0.62285703  0.49697379  0.65997845  1
  N  N64  1  0.12349833  0.16750072  0.66264903  1
  N  N65  1  0.37714691  0.50302681  0.34002467  1
  O  O66  1  0.96775064  0.92191513  0.62300262  1
  O  O67  1  0.53321695  0.30153180  0.37938111  1
  O  O68  1  0.03224852  0.07808409  0.37699490  1
  O  O69  1  0.46678404  0.69846851  0.62061860  1
  O  O70  1  0.76514139  0.09410296  0.51675888  1
  O  O71  1  0.73418917  0.57699755  0.48275425  1
  O  O72  1  0.23485742  0.90589555  0.48323814  1
  O  O73  1  0.26581318  0.42300415  0.51724843  1
  O  O74  1  0.62832625  0.89605345  0.60756577  1
  O  O75  1  0.87199987  0.28875138  0.39254242  1
  O  O76  1  0.37167308  0.10394758  0.39243444  1
  O  O77  1  0.12800243  0.71125025  0.60745742  1
