# generated using pymatgen
data_CoH12C20(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19785783
_cell_length_b   10.06772504
_cell_length_c   10.06667167
_cell_angle_alpha   60.95555407
_cell_angle_beta   85.48123627
_cell_angle_gamma   85.47938094
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoH12C20(NO2)2
_chemical_formula_sum   'Co2 H24 C40 N4 O8'
_cell_volume   811.54610074
_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
  Co  Co0  1  0.47886695  0.43993717  0.31940251  1
  Co  Co1  1  0.97886336  0.31938140  0.43996349  1
  H  H2  1  0.96051640  0.97878045  0.39917635  1
  H  H3  1  0.46056328  0.39918462  0.97876047  1
  H  H4  1  0.96144018  0.72596699  0.41124269  1
  H  H5  1  0.46151018  0.41125055  0.72591558  1
  H  H6  1  0.49734248  0.78095613  0.35913924  1
  H  H7  1  0.99741751  0.35917981  0.78083900  1
  H  H8  1  0.49648243  0.03387952  0.34683329  1
  H  H9  1  0.99653167  0.34681563  0.03382190  1
  H  H10  1  0.21265048  0.65273348  0.37209815  1
  H  H11  1  0.71280741  0.37212965  0.65267806  1
  H  H12  1  0.12710602  0.92102829  0.23969554  1
  H  H13  1  0.62714712  0.23972026  0.92096236  1
  H  H14  1  0.22488594  0.09344768  0.97416152  1
  H  H15  1  0.72486322  0.97417607  0.09340772  1
  H  H16  1  0.38713118  0.11931334  0.75104306  1
  H  H17  1  0.88709945  0.75106002  0.11932232  1
  H  H18  1  0.56773256  0.00589754  0.63829757  1
  H  H19  1  0.06771694  0.63829240  0.00593751  1
  H  H20  1  0.73133531  0.78313981  0.66567052  1
  H  H21  1  0.23134634  0.66562696  0.78319264  1
  H  H22  1  0.83097183  0.51889147  0.83961823  1
  H  H23  1  0.33099181  0.83952761  0.51891570  1
  H  H24  1  0.74577939  0.38777941  0.10808594  1
  H  H25  1  0.24580419  0.10796535  0.38774885  1
  C  C26  1  0.72705019  0.17388515  0.37323041  1
  C  C27  1  0.22706966  0.37315864  0.17389723  1
  C  C28  1  0.72807576  0.02315958  0.37439515  1
  C  C29  1  0.22812371  0.37436094  0.02313313  1
  C  C30  1  0.85852518  0.93604902  0.38944851  1
  C  C31  1  0.35857652  0.38946980  0.93600604  1
  C  C32  1  0.85926170  0.79398157  0.39557591  1
  C  C33  1  0.35932741  0.39559155  0.79392376  1
  C  C34  1  0.72973710  0.73635359  0.38434924  1
  C  C35  1  0.22981464  0.38433716  0.73628934  1
  C  C36  1  0.59933212  0.82360931  0.36898867  1
  C  C37  1  0.09939878  0.36902211  0.82351512  1
  C  C38  1  0.59859587  0.96570702  0.36279709  1
  C  C39  1  0.09864703  0.36279915  0.96564632  1
  C  C40  1  0.73063531  0.58535944  0.38608858  1
  C  C41  1  0.23071480  0.38603453  0.58530658  1
  C  C42  1  0.26188406  0.72812937  0.26052898  1
  C  C43  1  0.76199844  0.26054941  0.72808837  1
  C  C44  1  0.21052797  0.88039739  0.18371400  1
  C  C45  1  0.71058640  0.18373671  0.88034661  1
  C  C46  1  0.26392730  0.97545718  0.03819444  1
  C  C47  1  0.76394137  0.03820718  0.97542182  1
  C  C48  1  0.36979252  0.91600108  0.97059816  1
  C  C49  1  0.86982088  0.97060179  0.91598686  1
  C  C50  1  0.42694899  0.00171554  0.81909304  1
  C  C51  1  0.92694697  0.81909552  0.00172225  1
  C  C52  1  0.52822273  0.93839310  0.75610234  1
  C  C53  1  0.02822287  0.75609415  0.93841550  1
  C  C54  1  0.58614029  0.78734620  0.84263647  1
  C  C55  1  0.08616095  0.84260230  0.78736131  1
  C  C56  1  0.69250152  0.71962764  0.78379257  1
  C  C57  1  0.19252188  0.78373944  0.71965982  1
  C  C58  1  0.74689118  0.57477595  0.87967826  1
  C  C59  1  0.24691013  0.87959836  0.57479642  1
  C  C60  1  0.69580923  0.49869107  0.03207356  1
  C  C61  1  0.19584039  0.03198039  0.49868236  1
  C  C62  1  0.53458184  0.69957887  0.99703856  1
  C  C63  1  0.03462927  0.99700027  0.69957699  1
  C  C64  1  0.42179345  0.76189516  0.05908527  1
  C  C65  1  0.92186457  0.05907491  0.76188092  1
  N  N66  1  0.58866942  0.55689561  0.09040390  1
  N  N67  1  0.08872170  0.09034489  0.55687864  1
  N  N68  1  0.36847341  0.66919105  0.20235570  1
  N  N69  1  0.86859401  0.20235604  0.66917437  1
  O  O70  1  0.60738848  0.52512989  0.41378521  1
  O  O71  1  0.10749314  0.41380564  0.52500725  1
  O  O72  1  0.85280780  0.53186472  0.36089313  1
  O  O73  1  0.35288150  0.36073471  0.53187559  1
  O  O74  1  0.85025499  0.23412456  0.34578200  1
  O  O75  1  0.35027102  0.34575811  0.23413861  1
  O  O76  1  0.60479696  0.22720634  0.39849285  1
  O  O77  1  0.10478908  0.39835929  0.22722578  1
