# generated using pymatgen
data_Mn2FeCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11705521
_cell_length_b   10.13592793
_cell_length_c   12.55492719
_cell_angle_alpha   90.04153558
_cell_angle_beta   89.96491409
_cell_angle_gamma   106.44294068
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Co1 H28 C28 N32'
_cell_volume   990.69712327
_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
  Mn  Mn0  1  0.15974826  0.13233215  0.55388060  1
  Co  Co1  1  0.34175869  0.87060681  0.05836696  1
  Mn  Mn2  1  0.84179111  0.86609249  0.44430126  1
  Fe  Fe3  1  0.66225778  0.12328194  0.94358355  1
  H  H4  1  0.11425226  0.44920049  0.58026190  1
  H  H5  1  0.38564106  0.54974505  0.08105053  1
  H  H6  1  0.88422077  0.54947641  0.41863086  1
  H  H7  1  0.61302385  0.45051138  0.92033014  1
  H  H8  1  0.18672921  0.64932047  0.45984331  1
  H  H9  1  0.31284633  0.35076502  0.96112961  1
  H  H10  1  0.81137759  0.34973330  0.53957531  1
  H  H11  1  0.68650394  0.64915733  0.03933666  1
  H  H12  1  0.38840565  0.65426276  0.30409134  1
  H  H13  1  0.11260563  0.34681638  0.80462527  1
  H  H14  1  0.61175861  0.34631653  0.69593702  1
  H  H15  1  0.88902231  0.65406794  0.19559784  1
  H  H16  1  0.50168318  0.44998840  0.27788962  1
  H  H17  1  0.99938549  0.55152183  0.77859537  1
  H  H18  1  0.49928827  0.55108954  0.72203758  1
  H  H19  1  0.00203021  0.44926358  0.22105695  1
  H  H20  1  0.52764108  0.23229725  0.34469531  1
  H  H21  1  0.97427321  0.76925852  0.84664555  1
  H  H22  1  0.47370757  0.76863658  0.65449816  1
  H  H23  1  0.02636489  0.22953034  0.15305802  1
  H  H24  1  0.49990649  0.00314402  0.37666062  1
  H  H25  1  1.00430013  0.99731456  0.87759527  1
  H  H26  1  0.50167171  0.99731678  0.62187061  1
  H  H27  1  -0.00170774  0.00475336  0.12296275  1
  H  H28  1  0.33113210  0.90295417  0.45815547  1
  H  H29  1  0.17102284  0.09811585  0.96056363  1
  H  H30  1  0.67046850  0.09701753  0.54034520  1
  H  H31  1  0.83241012  0.90138958  0.04129329  1
  C  C32  1  0.19387178  0.44885157  0.51028232  1
  C  C33  1  0.30555765  0.55151893  0.01155976  1
  C  C34  1  0.80533032  0.55035031  0.48886332  1
  C  C35  1  0.69358081  0.44872215  0.98967455  1
  C  C36  1  0.23847028  0.56331870  0.44330230  1
  C  C37  1  0.26149478  0.43695571  0.94443385  1
  C  C38  1  0.76041896  0.43616109  0.55611190  1
  C  C39  1  0.73837299  0.56338051  0.05650635  1
  C  C40  1  0.34981855  0.56598002  0.35731789  1
  C  C41  1  0.15080039  0.43476050  0.85830699  1
  C  C42  1  0.64992253  0.43433192  0.64242903  1
  C  C43  1  0.85018817  0.56591858  0.14210850  1
  C  C44  1  0.41398738  0.45460793  0.34253556  1
  C  C45  1  0.08655465  0.54611292  0.84335355  1
  C  C46  1  0.58640605  0.54605349  0.65716387  1
  C  C47  1  0.91409978  0.45446425  0.15670791  1
  C  C48  1  0.36090747  0.34125156  0.41192965  1
  C  C49  1  0.13937959  0.65924643  0.91327372  1
  C  C50  1  0.63962085  0.65900285  0.58742836  1
  C  C51  1  0.86027363  0.34088971  0.08711830  1
  C  C52  1  0.42377993  0.22306452  0.40255849  1
  C  C53  1  0.07780253  0.77862845  0.90447377  1
  C  C54  1  0.57723790  0.77740231  0.59647459  1
  C  C55  1  0.92196210  0.22203200  0.09601513  1
  C  C56  1  0.43550345  -0.00112639  0.45427426  1
  C  C57  1  0.06695384  1.00214757  0.95584451  1
  C  C58  1  0.56594059  1.00119961  0.54422266  1
  C  C59  1  0.93488586  -0.00157542  0.04491127  1
  N  N60  1  0.24636974  0.33558261  0.49335638  1
  N  N61  1  0.25116856  0.66336793  0.99518760  1
  N  N62  1  0.75368894  0.66400921  0.50583878  1
  N  N63  1  0.74715195  0.33633816  0.00550251  1
  N  N64  1  0.35847224  0.11369953  0.45974631  1
  N  N65  1  0.14418869  0.88751813  0.96143927  1
  N  N66  1  0.64283164  0.88614543  0.53861747  1
  N  N67  1  0.85547709  0.11192419  0.03929793  1
  N  N68  1  0.03222628  0.91468743  0.57314952  1
  N  N69  1  0.48357759  0.08489837  0.07068531  1
  N  N70  1  0.96691171  0.08434544  0.42615975  1
  N  N71  1  0.52208234  0.91845459  0.92639001  1
  N  N72  1  0.09257296  0.83065867  0.61424580  1
  N  N73  1  0.41515927  0.16563619  0.10950323  1
  N  N74  1  0.90632002  0.16831082  0.38517239  1
  N  N75  1  0.58404672  0.83237495  0.88933773  1
  N  N76  1  0.15513649  0.74974383  0.64911253  1
  N  N77  1  0.34611998  0.24228191  0.14484143  1
  N  N78  1  0.84484397  0.24996749  0.35045946  1
  N  N79  1  0.65149863  0.75366877  0.85588544  1
  N  N80  1  0.95600118  0.19333293  0.65830504  1
  N  N81  1  0.52934115  0.80404942  0.14798267  1
  N  N82  1  0.03512815  0.80252743  0.34258252  1
  N  N83  1  0.46678201  0.19744296  0.85175300  1
  N  N84  1  0.86966483  0.15767743  0.73481052  1
  N  N85  1  0.61834061  0.84282841  0.22315176  1
  N  N86  1  0.12776980  0.84174916  0.26866246  1
  N  N87  1  0.37923017  0.15757352  0.77595020  1
  N  N88  1  0.77455945  0.12264187  0.80760347  1
  N  N89  1  0.71346375  0.87861674  0.29553148  1
  N  N90  1  0.22485294  0.88833299  0.19922770  1
  N  N91  1  0.28638423  0.12069959  0.70287523  1
