# generated using pymatgen
data_MnCoH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91625777
_cell_length_b   11.65977478
_cell_length_c   12.34128709
_cell_angle_alpha   118.38257566
_cell_angle_beta   100.08523879
_cell_angle_gamma   89.93820091
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoH28C32(NO3)4
_chemical_formula_sum   'Mn1 Co1 H28 C32 N4 O12'
_cell_volume   982.25803035
_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
  Co  Co0  1  0.99998402  0.99998020  0.49998089  1
  Mn  Mn1  1  0.50000267  0.50000163  0.50000162  1
  H  H2  1  0.84471829  0.91019961  0.62471900  1
  H  H3  1  0.65552400  0.27812387  0.37002928  1
  H  H4  1  0.15529358  0.08980905  0.37528914  1
  H  H5  1  0.34447859  0.72187845  0.62997262  1
  H  H6  1  0.02477586  0.84533876  0.61773767  1
  H  H7  1  0.47483306  0.21937642  0.37488100  1
  H  H8  1  0.97523094  0.15466932  0.38226594  1
  H  H9  1  0.52516991  0.78062550  0.62512098  1
  H  H10  1  0.76431794  0.94231049  0.25433835  1
  H  H11  1  0.73512185  0.68938057  0.75227620  1
  H  H12  1  0.23567853  0.05768716  0.74565467  1
  H  H13  1  0.26487766  0.31062011  0.24772796  1
  H  H14  1  0.57652914  0.75393712  0.07841029  1
  H  H15  1  0.92268993  0.67553267  0.92755915  1
  H  H16  1  0.42346579  0.24605888  0.92158228  1
  H  H17  1  0.07730755  0.32446713  0.07244514  1
  H  H18  1  0.79753257  0.51501988  0.24027100  1
  H  H19  1  0.70523442  0.27135088  0.75809127  1
  H  H20  1  0.20245681  0.48497565  0.75972449  1
  H  H21  1  0.29476539  0.72864780  0.24190944  1
  H  H22  1  0.98883731  0.71126222  0.40162830  1
  H  H23  1  0.51531281  0.30801682  0.59792515  1
  H  H24  1  0.01115507  0.28873363  0.59836917  1
  H  H25  1  0.48468894  0.69198292  0.40207541  1
  H  H26  1  0.57186901  0.41271224  0.05598454  1
  H  H27  1  0.93197517  0.35483170  0.94430773  1
  H  H28  1  0.42812482  0.58728492  0.94401058  1
  H  H29  1  0.06802464  0.64516698  0.05569424  1
  C  C30  1  0.76707570  0.84589691  0.24775632  1
  C  C31  1  0.73418719  0.59862709  0.75736385  1
  C  C32  1  0.23291873  0.15409966  0.75223517  1
  C  C33  1  0.26581208  0.40137320  0.24263976  1
  C  C34  1  0.66209024  0.73992792  0.14977921  1
  C  C35  1  0.83857237  0.58978360  0.85470101  1
  C  C36  1  0.33790410  0.26006828  0.85021373  1
  C  C37  1  0.16142611  0.41021614  0.14530238  1
  C  C38  1  0.66778830  0.61648100  0.14501672  1
  C  C39  1  0.83336653  0.46963093  0.85663821  1
  C  C40  1  0.33220604  0.38351609  0.85497820  1
  C  C41  1  0.16663279  0.53036827  0.14336416  1
  C  C42  1  0.78703639  0.60776074  0.23934650  1
  C  C43  1  0.71529887  0.36599266  0.76095183  1
  C  C44  1  0.21295612  0.39223481  0.76064855  1
  C  C45  1  0.28470120  0.63400650  0.23904975  1
  C  C46  1  0.89068485  0.71793494  0.33161479  1
  C  C47  1  0.61247941  0.38489663  0.66944939  1
  C  C48  1  0.10930879  0.28205848  0.66838020  1
  C  C49  1  0.38752114  0.61510329  0.33055231  1
  C  C50  1  0.62097978  0.04043773  0.50597083  1
  C  C51  1  0.88002695  0.53407589  0.48967872  1
  C  C52  1  0.37902278  0.95956758  0.49403380  1
  C  C53  1  0.11997855  0.46592605  0.51032285  1
  C  C54  1  0.55689755  0.95452376  0.55000195  1
  C  C55  1  0.94339907  0.40376536  0.44864562  1
  C  C56  1  0.44310561  0.04548012  0.45000133  1
  C  C57  1  0.05660534  0.59623572  0.55135527  1
  C  C58  1  0.55880350  0.50198404  0.04842515  1
  C  C59  1  0.94239977  0.45192053  0.95207837  1
  C  C60  1  0.44119070  0.49801341  0.95157011  1
  C  C61  1  0.05759950  0.54807839  0.04792395  1
  N  N62  1  0.87670074  0.83688049  0.34006104  1
  N  N63  1  0.62723845  0.49659801  0.66376095  1
  N  N64  1  0.12329238  0.16311295  0.65993036  1
  N  N65  1  0.37276155  0.50340290  0.33624194  1
  O  O66  1  0.96722316  0.92186038  0.61940960  1
  O  O67  1  0.53265576  0.29444143  0.37393479  1
  O  O68  1  0.03279225  0.07815761  0.38061064  1
  O  O69  1  0.46734757  0.70556159  0.62606952  1
  O  O70  1  0.76474176  0.09433634  0.51694468  1
  O  O71  1  0.73634052  0.57729598  0.47864263  1
  O  O72  1  0.23526211  0.90567365  0.48306868  1
  O  O73  1  0.26366553  0.42270608  0.52135938  1
  O  O74  1  0.62899721  0.89972648  0.61017763  1
  O  O75  1  0.87344845  0.28801912  0.39017623  1
  O  O76  1  0.37100766  0.10027202  0.38981983  1
  O  O77  1  0.12655561  0.71198238  0.60982210  1
