# generated using pymatgen
data_Mn2FeNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11656977
_cell_length_b   10.13564991
_cell_length_c   12.55314873
_cell_angle_alpha   90.04096687
_cell_angle_beta   89.98447242
_cell_angle_gamma   106.45417760
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Ni1 H28 C28 N32'
_cell_volume   990.41312294
_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  0.15752343  0.13335015  0.55105447  1
  Ni  Ni1  1  0.33489068  0.87349160  0.05725125  1
  Fe  Fe2  1  0.84034208  0.87365568  0.44211355  1
  Mn  Mn3  1  0.65593996  0.13151229  0.95008380  1
  H  H4  1  0.11348020  0.44810683  0.58078910  1
  H  H5  1  0.38583546  0.55251835  0.08221912  1
  H  H6  1  0.88560829  0.54863677  0.41781022  1
  H  H7  1  0.61304549  0.44786695  0.91998209  1
  H  H8  1  0.18522899  0.64859421  0.46025404  1
  H  H9  1  0.31321772  0.35322376  0.96284313  1
  H  H10  1  0.81327400  0.35124678  0.53837440  1
  H  H11  1  0.68700095  0.64903738  0.03968840  1
  H  H12  1  0.38571115  0.65351502  0.30413853  1
  H  H13  1  0.11177308  0.34765720  0.80659002  1
  H  H14  1  0.61182156  0.34770289  0.69465552  1
  H  H15  1  0.89170765  0.65542177  0.19415700  1
  H  H16  1  0.50002974  0.44958243  0.27774104  1
  H  H17  1  1.00155675  0.55380036  0.77899280  1
  H  H18  1  0.50248259  0.55454465  0.72130351  1
  H  H19  1  0.00206464  0.45014274  0.22161078  1
  H  H20  1  0.52793990  0.23184891  0.34584218  1
  H  H21  1  0.97223660  0.76882671  0.84707301  1
  H  H22  1  0.47566914  0.77232193  0.65167836  1
  H  H23  1  0.02947916  0.23209295  0.15302822  1
  H  H24  1  0.49424388  0.00031217  0.37581473  1
  H  H25  1  1.00534482  1.00061958  0.87760336  1
  H  H26  1  0.50496007  0.99719375  0.62127776  1
  H  H27  1  -0.00561825  0.00026062  0.12311855  1
  H  H28  1  0.32916256  0.90156012  0.46019995  1
  H  H29  1  0.17089100  0.09959327  0.96301577  1
  H  H30  1  0.66921590  0.09990471  0.53830228  1
  H  H31  1  0.82908260  0.90150068  0.03863444  1
  C  C32  1  0.19220258  0.44789229  0.51039652  1
  C  C33  1  0.30565867  0.55427545  0.01272299  1
  C  C34  1  0.80636697  0.55135901  0.48769221  1
  C  C35  1  0.69216065  0.44765413  0.99015188  1
  C  C36  1  0.23680157  0.56247692  0.44359087  1
  C  C37  1  0.26189597  0.43934643  0.94577456  1
  C  C38  1  0.76168733  0.43732535  0.55512215  1
  C  C39  1  0.73825713  0.56281886  0.05640285  1
  C  C40  1  0.34781686  0.56514973  0.35741467  1
  C  C41  1  0.15109159  0.43632098  0.85953068  1
  C  C42  1  0.65110218  0.43586518  0.64136051  1
  C  C43  1  0.85073707  0.56617307  0.14186655  1
  C  C44  1  0.41246851  0.45400579  0.34252473  1
  C  C45  1  0.08770380  0.54794115  0.84423205  1
  C  C46  1  0.58836271  0.54794922  0.65609796  1
  C  C47  1  0.91421752  0.45451882  0.15702060  1
  C  C48  1  0.35946057  0.34039574  0.41164886  1
  C  C49  1  0.13987289  0.66120002  0.91420830  1
  C  C50  1  0.64155083  0.66069335  0.58587089  1
  C  C51  1  0.85979029  0.34037234  0.08841004  1
  C  C52  1  0.42272002  0.22228949  0.40276237  1
  C  C53  1  0.07692098  0.77981268  0.90426247  1
  C  C54  1  0.58010728  0.77960970  0.59472197  1
  C  C55  1  0.92304788  0.22240072  0.09699515  1
  C  C56  1  0.43330507  -0.00257763  0.45442244  1
  C  C57  1  0.06676656  1.00398699  0.95616362  1
  C  C58  1  0.56713085  1.00267652  0.54283801  1
  C  C59  1  0.93273585  -0.00235875  0.04479386  1
  N  N60  1  0.24418348  0.33448596  0.49247948  1
  N  N61  1  0.25100130  0.66602559  0.99671046  1
  N  N62  1  0.75400870  0.66456124  0.50374411  1
  N  N63  1  0.74360689  0.33407616  0.00803840  1
  N  N64  1  0.35626575  0.11256005  0.45946703  1
  N  N65  1  0.14349381  0.88935729  0.96012636  1
  N  N66  1  0.64701687  0.88934483  0.53769691  1
  N  N67  1  0.85520604  0.11227691  0.04081446  1
  N  N68  1  0.02210613  0.91381999  0.57009389  1
  N  N69  1  0.46638298  0.07933977  0.07998716  1
  N  N70  1  0.97070817  0.08211261  0.42067957  1
  N  N71  1  0.52927237  0.91637837  0.92531169  1
  N  N72  1  0.08339527  0.82889362  0.60948465  1
  N  N73  1  0.40155536  0.16280137  0.11760201  1
  N  N74  1  0.90304595  0.16340572  0.38151519  1
  N  N75  1  0.58905126  0.82989438  0.88823566  1
  N  N76  1  0.15077311  0.75194820  0.64565811  1
  N  N77  1  0.33857409  0.24558637  0.14871381  1
  N  N78  1  0.83909573  0.24497176  0.34978902  1
  N  N79  1  0.65245215  0.74879522  0.85410429  1
  N  N80  1  0.96716410  0.19438450  0.64759620  1
  N  N81  1  0.55012676  0.80096467  0.15830676  1
  N  N82  1  0.03874053  0.80521459  0.34574255  1
  N  N83  1  0.46789622  0.19436049  0.85277709  1
  N  N84  1  0.88072533  0.15751064  0.72454546  1
  N  N85  1  0.63256066  0.83825875  0.23562980  1
  N  N86  1  0.12392352  0.84231159  0.26820214  1
  N  N87  1  0.38131659  0.15748309  0.77596109  1
  N  N88  1  0.79039056  0.12277462  0.79881018  1
  N  N89  1  0.72430805  0.87534311  0.30983067  1
  N  N90  1  0.21466160  0.87091553  0.19378693  1
  N  N91  1  0.28991566  0.12064249  0.70233053  1
