# generated using pymatgen
data_MnCrH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08651960
_cell_length_b   12.19235037
_cell_length_c   11.40275149
_cell_angle_alpha   79.79533987
_cell_angle_beta   80.93780766
_cell_angle_gamma   70.87977427
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrH40C40(N2O)8
_chemical_formula_sum   'Mn1 Cr1 H40 C40 N16 O8'
_cell_volume   1039.41664761
_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  0.00000071  -0.00000045  -0.00000082  1
  Mn  Mn1  1  0.49999811  0.50000306  0.50000094  1
  H  H2  1  0.22741334  0.43454555  0.83302054  1
  H  H3  1  0.77258795  0.56545256  0.16698231  1
  H  H4  1  0.82450004  0.37196356  0.10586931  1
  H  H5  1  0.17550107  0.62803470  0.89413324  1
  H  H6  1  0.69975131  0.09700338  0.82721194  1
  H  H7  1  0.30024986  0.90299687  0.17278617  1
  H  H8  1  0.65323519  0.10399596  0.19216441  1
  H  H9  1  0.34676543  0.89600510  0.80783350  1
  H  H10  1  0.33300913  0.21381958  0.11731392  1
  H  H11  1  0.66699229  0.78617889  0.88268427  1
  H  H12  1  0.37096793  0.18917749  0.88196957  1
  H  H13  1  0.62903283  0.81081947  0.11802889  1
  H  H14  1  0.08457998  0.15785581  0.75789118  1
  H  H15  1  0.91541848  0.84214578  0.24211110  1
  H  H16  1  0.97391603  0.83927682  0.80985630  1
  H  H17  1  0.02609428  0.16072124  0.19013709  1
  H  H18  1  0.10141245  0.87544600  0.57797048  1
  H  H19  1  0.89860055  0.12455714  0.42202496  1
  H  H20  1  0.14834152  0.08792719  0.54681949  1
  H  H21  1  0.85166391  0.91207769  0.45318104  1
  H  H22  1  0.43089178  0.19057792  0.36764965  1
  H  H23  1  0.56910866  0.80942640  0.63234910  1
  H  H24  1  0.61797255  0.98055929  0.69333972  1
  H  H25  1  0.38203306  0.01944384  0.30665713  1
  H  H26  1  0.36950819  0.69978898  0.28123368  1
  H  H27  1  0.63048393  0.30021543  0.71876823  1
  H  H28  1  0.55554909  0.33668756  0.29584815  1
  H  H29  1  0.44445584  0.66331748  0.70415434  1
  H  H30  1  0.41534395  0.42112764  0.08566724  1
  H  H31  1  0.58465748  0.57887418  0.91433616  1
  H  H32  1  0.30639767  0.65706924  0.07754123  1
  H  H33  1  0.69359481  0.34293258  0.92246189  1
  H  H34  1  0.20708572  0.39445565  0.64632631  1
  H  H35  1  0.79292139  0.60554740  0.35367290  1
  H  H36  1  0.14849923  0.72580902  0.46268482  1
  H  H37  1  0.85149002  0.27419555  0.53731688  1
  H  H38  1  0.82583989  0.71863112  0.56557311  1
  H  H39  1  0.17414937  0.28136231  0.43442751  1
  H  H40  1  0.88075916  0.50531606  0.69813034  1
  H  H41  1  0.11924424  0.49467765  0.30187017  1
  C  C42  1  0.04507883  0.27493281  0.91448853  1
  C  C43  1  0.95492198  0.72506703  0.08551130  1
  C  C44  1  0.02532174  0.38874072  0.96167538  1
  C  C45  1  0.97467895  0.61125795  0.03832639  1
  C  C46  1  0.12495860  0.46252014  0.90572653  1
  C  C47  1  0.87504254  0.53747833  0.09427604  1
  C  C48  1  0.90202494  0.42789507  0.05848857  1
  C  C49  1  0.09797580  0.57210361  0.94151407  1
  C  C50  1  0.61776177  0.11288767  0.10256470  1
  C  C51  1  0.38223995  0.88711173  0.89743387  1
  C  C52  1  0.45261277  0.16881393  0.06410465  1
  C  C53  1  0.54738809  0.83118465  0.93589321  1
  C  C54  1  0.47036631  0.15772113  0.94374587  1
  C  C55  1  0.52963499  0.84227641  0.05625260  1
  C  C56  1  0.01000936  0.91519160  0.76448599  1
  C  C57  1  0.98999869  0.08480729  0.23551012  1
  C  C58  1  0.07448714  0.93422784  0.64540508  1
  C  C59  1  0.92552241  0.06577373  0.35459094  1
  C  C60  1  0.10394486  0.04170948  0.62952392  1
  C  C61  1  0.89605969  0.95829381  0.37047538  1
  C  C62  1  0.54930775  0.20476596  0.57592205  1
  C  C63  1  0.45069014  0.79523805  0.42407799  1
  C  C64  1  0.52342091  0.09961265  0.53661165  1
  C  C65  1  0.47658129  0.90039114  0.46338629  1
  C  C66  1  0.45881861  0.10740494  0.42728584  1
  C  C67  1  0.54118373  0.89259879  0.57271205  1
  C  C68  1  0.56515584  0.99022266  0.60838501  1
  C  C69  1  0.43484867  0.00978081  0.39161190  1
  C  C70  1  0.49076359  0.42721948  0.26277848  1
  C  C71  1  0.50923757  0.57278468  0.73722448  1
  C  C72  1  0.42490179  0.47124799  0.15324375  1
  C  C73  1  0.57509790  0.52875456  0.84675923  1
  C  C74  1  0.36296224  0.59181682  0.15026285  1
  C  C75  1  0.63703108  0.40818625  0.84974016  1
  C  C76  1  0.11652690  0.65457118  0.52282887  1
  C  C77  1  0.88346371  0.34543302  0.47717265  1
  C  C78  1  0.95181036  0.65151759  0.57791468  1
  C  C79  1  0.04818187  0.34848065  0.42208664  1
  C  C80  1  0.97741103  0.54193107  0.64403926  1
  C  C81  1  0.02258905  0.45806656  0.35596159  1
  N  N82  1  0.73424734  0.06881144  0.01003290  1
  N  N83  1  0.26575387  0.93118758  0.98996516  1
  N  N84  1  0.63851783  0.09549876  0.91323534  1
  N  N85  1  0.36148369  0.90449918  0.08676291  1
  N  N86  1  0.00030582  1.00701155  0.82060262  1
  N  N87  1  0.99969577  -0.00701238  0.17939515  1
  N  N88  1  0.06093278  0.08376695  0.73482879  1
  N  N89  1  0.93906642  0.91623532  0.26517139  1
  N  N90  1  0.46554702  0.51658083  0.32600998  1
  N  N91  1  0.53444955  0.48342438  0.67399268  1
  N  N92  1  0.38474206  0.61693370  0.25584049  1
  N  N93  1  0.61524882  0.38307037  0.74416295  1
  N  N94  1  0.23836836  0.55060318  0.55240902  1
  N  N95  1  0.76162766  0.44940344  0.44759283  1
  N  N96  1  0.15048651  0.48343681  0.62949111  1
  N  N97  1  0.84951500  0.51656561  0.37051036  1
  O  O98  1  0.99593448  0.19393204  0.98345592  1
  O  O99  1  0.00406715  0.80606712  0.01654229  1
  O  O100  1  0.10909055  0.26930251  0.80542852  1
  O  O101  1  0.89090970  0.73069907  0.19457158  1
  O  O102  1  0.48085642  0.30648456  0.52056009  1
  O  O103  1  0.51913891  0.69351957  0.47944144  1
  O  O104  1  0.64147113  0.18327484  0.66312166  1
  O  O105  1  0.35852559  0.81672918  0.33687920  1
