# generated using pymatgen
data_MnCrH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41410830
_cell_length_b   9.53166686
_cell_length_c   9.53538300
_cell_angle_alpha   81.79328768
_cell_angle_beta   75.38852117
_cell_angle_gamma   75.77903161
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrH20C28(N3O2)4
_chemical_formula_sum   'Mn1 Cr1 H20 C28 N12 O8'
_cell_volume   799.60454292
_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  0.73918333  0.95305927  0.71074960  1
  Mn  Mn1  1  0.24205265  0.72428168  0.93496823  1
  H  H2  1  0.38495142  0.01430373  0.61279633  1
  H  H3  1  0.89035346  0.60918400  0.02462835  1
  H  H4  1  0.59996356  0.48517545  0.77868378  1
  H  H5  1  0.10205090  0.77037362  0.48873643  1
  H  H6  1  0.87184060  0.87845244  0.18123064  1
  H  H7  1  0.36860304  0.17639374  0.87946176  1
  H  H8  1  0.07855382  0.30986479  0.24751961  1
  H  H9  1  0.58000077  0.24454547  0.29750757  1
  H  H10  1  0.59083053  0.92394505  0.08617439  1
  H  H11  1  0.08031671  0.08449659  0.92307329  1
  H  H12  1  0.96080398  0.11253054  0.40250141  1
  H  H13  1  0.46359008  0.40785268  0.10536700  1
  H  H14  1  0.78773360  0.62811626  0.53720704  1
  H  H15  1  0.29684167  0.52556640  0.62750951  1
  H  H16  1  0.21056299  0.03081280  0.44939268  1
  H  H17  1  0.70888863  0.45369371  0.03207980  1
  H  H18  1  0.31144140  0.98472442  0.18759200  1
  H  H19  1  0.80237342  0.19270848  0.98233641  1
  H  H20  1  0.98692934  0.56643588  0.31032334  1
  H  H21  1  0.49370149  0.30050156  0.55650931  1
  C  C22  1  0.42772774  0.99413830  0.49871931  1
  C  C23  1  0.92856984  0.49562703  0.00226567  1
  C  C24  1  0.45633217  0.90611949  0.85996954  1
  C  C25  1  0.93392580  0.87031868  0.89952405  1
  C  C26  1  0.55791335  0.75380043  0.82961656  1
  C  C27  1  0.03104122  0.83001402  0.74792634  1
  C  C28  1  0.99001450  0.33579870  0.34508768  1
  C  C29  1  0.49350049  0.34211295  0.32705584  1
  C  C30  1  0.54357875  0.94237711  0.19999785  1
  C  C31  1  0.03664436  0.19797964  0.94370766  1
  C  C32  1  0.82354588  0.25983987  0.56058682  1
  C  C33  1  0.32798768  0.56015235  0.25953584  1
  C  C34  1  0.93020095  0.22397902  0.43223184  1
  C  C35  1  0.43386143  0.43317613  0.21833746  1
  C  C36  1  0.82874599  0.51709292  0.50706127  1
  C  C37  1  0.33642103  0.49922040  0.51502439  1
  C  C38  1  0.77323309  0.40391430  0.59578529  1
  C  C39  1  0.27962794  0.59130356  0.40539086  1
  C  C40  1  0.63860360  0.93191668  0.29423801  1
  C  C41  1  0.13515533  0.28765237  0.93786506  1
  C  C42  1  0.33183949  0.00318201  0.40601019  1
  C  C43  1  0.82952864  0.40734145  0.00626083  1
  C  C44  1  0.38849980  0.97795315  0.25796996  1
  C  C45  1  0.88232807  0.25986454  0.97800846  1
  C  C46  1  0.93921755  0.48074244  0.38108922  1
  C  C47  1  0.44519230  0.37407342  0.47354263  1
  C  C48  1  0.58275036  0.95886354  0.44039448  1
  C  C49  1  0.08278131  0.43305623  0.96864074  1
  N  N50  1  0.83251962  0.91835073  0.39653814  1
  N  N51  1  0.33018977  0.38775475  0.92952055  1
  N  N52  1  0.64864487  0.26244596  0.76698707  1
  N  N53  1  0.15585402  0.76443294  0.26635868  1
  N  N54  1  0.70822604  0.94855519  0.49868765  1
  N  N55  1  0.20763867  0.48858051  0.96238980  1
  N  N56  1  0.66697188  0.39663439  0.72388957  1
  N  N57  1  0.17596675  0.72096009  0.40102016  1
  N  N58  1  0.74457151  0.17649966  0.67170939  1
  N  N59  1  0.25066615  0.67197555  0.17900183  1
  N  N60  1  0.79225751  0.90543876  0.27635983  1
  N  N61  1  0.28874063  0.26728970  0.91504097  1
  O  O62  1  0.49593098  0.64636535  0.86564449  1
  O  O63  1  0.96329700  0.87058768  0.64264042  1
  O  O64  1  0.51967203  0.01358330  0.80964238  1
  O  O65  1  0.99479011  0.83294852  0.00692194  1
  O  O66  1  0.32125995  0.91758715  0.92585686  1
  O  O67  1  0.79883278  0.93983632  0.90362850  1
  O  O68  1  0.69494822  0.75035704  0.76577600  1
  O  O69  1  0.16532738  0.76254494  0.73555510  1
