# generated using pymatgen
data_CrCoH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06806029
_cell_length_b   12.22180413
_cell_length_c   11.37358193
_cell_angle_alpha   79.73004788
_cell_angle_beta   80.91832172
_cell_angle_gamma   70.77993484
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoH40C40(N2O)8
_chemical_formula_sum   'Cr1 Co1 H40 C40 N16 O8'
_cell_volume   1036.07813839
_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
  Cr  Cr0  1  0.00000034  0.00000054  -0.00000142  1
  Co  Co1  1  0.49998334  0.50020452  0.49999028  1
  H  H2  1  0.23206138  0.43344171  0.83496142  1
  H  H3  1  0.76793574  0.56655572  0.16503600  1
  H  H4  1  0.81793347  0.37470814  0.10144047  1
  H  H5  1  0.18207373  0.62528589  0.89856238  1
  H  H6  1  0.69912934  0.09849787  0.82638366  1
  H  H7  1  0.30086455  0.90150461  0.17361246  1
  H  H8  1  0.65132075  0.10326665  0.19300444  1
  H  H9  1  0.34868461  0.89673507  0.80699126  1
  H  H10  1  0.33089353  0.21390448  0.11731654  1
  H  H11  1  0.66910588  0.78609266  0.88268403  1
  H  H12  1  0.37080846  0.19123758  0.88048019  1
  H  H13  1  0.62918705  0.80875997  0.11952005  1
  H  H14  1  0.08724965  0.15659279  0.75731873  1
  H  H15  1  0.91274917  0.84341399  0.24268332  1
  H  H16  1  0.97565638  0.83906204  0.80981725  1
  H  H17  1  0.02435114  0.16093860  0.19017713  1
  H  H18  1  0.10031553  0.87609911  0.57666542  1
  H  H19  1  0.89969210  0.12390575  0.42333087  1
  H  H20  1  0.14843926  0.08778582  0.54569481  1
  H  H21  1  0.85156837  0.91221962  0.45430737  1
  H  H22  1  0.42412895  0.19419955  0.37339612  1
  H  H23  1  0.57586706  0.80579936  0.62661523  1
  H  H24  1  0.62194075  0.97534775  0.69381407  1
  H  H25  1  0.37807264  0.02465398  0.30618249  1
  H  H26  1  0.37046499  0.69802027  0.28877150  1
  H  H27  1  0.62950225  0.30198698  0.71120440  1
  H  H28  1  0.55766368  0.33474165  0.30724189  1
  H  H29  1  0.44230663  0.66526373  0.69280027  1
  H  H30  1  0.42316948  0.41809672  0.09380491  1
  H  H31  1  0.57687242  0.58187985  0.90620958  1
  H  H32  1  0.31319215  0.65348566  0.08448418  1
  H  H33  1  0.68682960  0.34649112  0.91550105  1
  H  H34  1  0.22338194  0.39005709  0.63540758  1
  H  H35  1  0.77672343  0.60993930  0.36452914  1
  H  H36  1  0.16089870  0.72398855  0.46004724  1
  H  H37  1  0.83898189  0.27605954  0.53994599  1
  H  H38  1  0.83955696  0.71671104  0.56752813  1
  H  H39  1  0.16039458  0.28324188  0.43252284  1
  H  H40  1  0.89640146  0.50097312  0.69487315  1
  H  H41  1  0.10370925  0.49895644  0.30514112  1
  C  C42  1  0.04528924  0.27528680  0.91387056  1
  C  C43  1  0.95470948  0.72471173  0.08612831  1
  C  C44  1  0.02510603  0.38928817  0.96098268  1
  C  C45  1  0.97489655  0.61070868  0.03901776  1
  C  C46  1  0.12789632  0.46167833  0.90704091  1
  C  C47  1  0.87210510  0.53831882  0.09295972  1
  C  C48  1  0.89843241  0.42945060  0.05613767  1
  C  C49  1  0.10157233  0.57054443  0.94386461  1
  C  C50  1  0.61648501  0.11291352  0.10281128  1
  C  C51  1  0.38351502  0.88708564  0.89718603  1
  C  C52  1  0.45114932  0.16949922  0.06390194  1
  C  C53  1  0.54884939  0.83049719  0.93609805  1
  C  C54  1  0.46963956  0.15886113  0.94312735  1
  C  C55  1  0.53035815  0.84113644  0.05687229  1
  C  C56  1  0.01153396  0.91488463  0.76416251  1
  C  C57  1  0.98847327  0.08511709  0.23583387  1
  C  C58  1  0.07530921  0.93411564  0.64460582  1
  C  C59  1  0.92470134  0.06588826  0.35539146  1
  C  C60  1  0.10552803  0.04112313  0.62877957  1
  C  C61  1  0.89448030  0.95888080  0.37122064  1
  C  C62  1  0.54065509  0.20104451  0.58394469  1
  C  C63  1  0.45932258  0.79896225  0.41607480  1
  C  C64  1  0.52128053  0.09729408  0.54016064  1
  C  C65  1  0.47872232  0.90270637  0.45984385  1
  C  C66  1  0.45474594  0.10941090  0.43022351  1
  C  C67  1  0.54525288  0.89058950  0.56978256  1
  C  C68  1  0.56736697  0.98671926  0.60892872  1
  C  C69  1  0.43263349  0.01328173  0.39107606  1
  C  C70  1  0.49167632  0.42488197  0.27354822  1
  C  C71  1  0.50831177  0.57511736  0.72647869  1
  C  C72  1  0.42980380  0.46843372  0.16206538  1
  C  C73  1  0.57021116  0.53155124  0.83794767  1
  C  C74  1  0.36722312  0.58866475  0.15841405  1
  C  C75  1  0.63277575  0.41131953  0.84158212  1
  C  C76  1  0.13049950  0.65232437  0.52025845  1
  C  C77  1  0.86944209  0.34770687  0.47972752  1
  C  C78  1  0.96604163  0.64895372  0.57735528  1
  C  C79  1  0.03394039  0.35102038  0.42266371  1
  C  C80  1  0.99268584  0.53846053  0.64122676  1
  C  C81  1  0.00736982  0.46150177  0.35877075  1
  N  N82  1  0.73356119  0.06889287  0.01009723  1
  N  N83  1  0.26643829  0.93110806  0.98989874  1
  N  N84  1  0.63806331  0.09611693  0.91278890  1
  N  N85  1  0.36193506  0.90388368  0.08720855  1
  N  N86  1  0.00240263  1.00638975  0.82038834  1
  N  N87  1  0.99759945  -0.00638866  0.17961006  1
  N  N88  1  0.06411088  0.08249839  0.73457192  1
  N  N89  1  0.93589417  0.91750406  0.26543055  1
  N  N90  1  0.46380041  0.51506873  0.33634380  1
  N  N91  1  0.53614818  0.48493643  0.66367622  1
  N  N92  1  0.38529118  0.61474644  0.26495961  1
  N  N93  1  0.61466496  0.38525422  0.73504146  1
  N  N94  1  0.25235297  0.54712462  0.54695635  1
  N  N95  1  0.74763410  0.45289672  0.45296419  1
  N  N96  1  0.16629136  0.47919048  0.62427813  1
  N  N97  1  0.83378146  0.52080776  0.37567162  1
  O  O98  1  0.99509919  0.19480272  0.98301100  1
  O  O99  1  0.00490196  0.80519500  0.01698789  1
  O  O100  1  0.11049336  0.26920943  0.80484641  1
  O  O101  1  0.88949600  0.73079345  0.19515084  1
  O  O102  1  0.45200439  0.30210987  0.53862824  1
  O  O103  1  0.54798744  0.69790117  0.46141326  1
  O  O104  1  0.64668291  0.17973375  0.66349961  1
  O  O105  1  0.35332583  0.82024663  0.33651423  1
