# generated using pymatgen
data_MnFeH14(C7N8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11765653
_cell_length_b   10.13655451
_cell_length_c   12.55600863
_cell_angle_alpha   90.03915173
_cell_angle_beta   89.96673264
_cell_angle_gamma   106.44469962
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH14(C7N8)2
_chemical_formula_sum   'Mn2 Fe2 H28 C28 N32'
_cell_volume   990.90816839
_cell_formula_units_Z   2
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  0.16139885  0.13236830  0.55332589  1
  Fe  Fe1  1  0.33427001  0.87221745  0.05747953  1
  Mn  Mn2  1  0.83901961  0.86736747  0.44621807  1
  Fe  Fe3  1  0.66593461  0.12754133  0.94282462  1
  H  H4  1  0.11411693  0.44904985  0.58016786  1
  H  H5  1  0.38551354  0.54908193  0.08078440  1
  H  H6  1  0.88394275  0.54985749  0.41889127  1
  H  H7  1  0.61285515  0.45013535  0.92014731  1
  H  H8  1  0.18690316  0.64933216  0.45991176  1
  H  H9  1  0.31293166  0.35067124  0.96122693  1
  H  H10  1  0.81143471  0.35003476  0.53945354  1
  H  H11  1  0.68551388  0.64875376  0.03951275  1
  H  H12  1  0.38794409  0.65409790  0.30389541  1
  H  H13  1  0.11251133  0.34669624  0.80422331  1
  H  H14  1  0.61166234  0.34606741  0.69598097  1
  H  H15  1  0.88789304  0.65379622  0.19564171  1
  H  H16  1  0.50210180  0.45021537  0.27803833  1
  H  H17  1  0.99915479  0.55133719  0.77870676  1
  H  H18  1  0.49874695  0.55054636  0.72218515  1
  H  H19  1  0.00201116  0.44954501  0.22102213  1
  H  H20  1  0.52816720  0.23204645  0.34493612  1
  H  H21  1  0.97486934  0.77161054  0.84679544  1
  H  H22  1  0.47236967  0.76851442  0.65483209  1
  H  H23  1  0.02590148  0.22901498  0.15330632  1
  H  H24  1  0.50038879  0.00347564  0.37699349  1
  H  H25  1  1.00261465  0.99496206  0.87775050  1
  H  H26  1  0.50033866  0.99706197  0.62213226  1
  H  H27  1  -0.00199205  0.00554205  0.12288224  1
  H  H28  1  0.33117128  0.90294542  0.45804689  1
  H  H29  1  0.16859546  0.09880120  0.95882977  1
  H  H30  1  0.66973226  0.09712355  0.54101117  1
  H  H31  1  0.83210574  0.90140594  0.04187970  1
  C  C32  1  0.19396907  0.44883288  0.51028596  1
  C  C33  1  0.30574522  0.55104161  0.01110476  1
  C  C34  1  0.80486545  0.55059844  0.48906852  1
  C  C35  1  0.69326076  0.44854381  0.98958328  1
  C  C36  1  0.23860749  0.56331522  0.44338392  1
  C  C37  1  0.26136474  0.43662902  0.94403933  1
  C  C38  1  0.76031028  0.43630941  0.55616854  1
  C  C39  1  0.73772630  0.56309620  0.05650818  1
  C  C40  1  0.34989559  0.56603334  0.35735350  1
  C  C41  1  0.15053121  0.43458462  0.85793881  1
  C  C42  1  0.64975713  0.43410864  0.64251286  1
  C  C43  1  0.84955870  0.56568829  0.14216923  1
  C  C44  1  0.41433865  0.45479831  0.34264712  1
  C  C45  1  0.08652387  0.54597977  0.84330777  1
  C  C46  1  0.58593092  0.54562343  0.65733598  1
  C  C47  1  0.91404494  0.45452773  0.15667618  1
  C  C48  1  0.36120146  0.34138745  0.41195369  1
  C  C49  1  0.13978368  0.65931547  0.91306180  1
  C  C50  1  0.63882176  0.65876482  0.58774198  1
  C  C51  1  0.86042742  0.34092098  0.08719390  1
  C  C52  1  0.42408865  0.22323219  0.40257705  1
  C  C53  1  0.07842162  0.77819576  0.90416796  1
  C  C54  1  0.57617753  0.77704114  0.59704739  1
  C  C55  1  0.92205036  0.22216104  0.09609314  1
  C  C56  1  0.43559860  -0.00116040  0.45447050  1
  C  C57  1  0.06605479  1.00175942  0.95578632  1
  C  C58  1  0.56506612  1.00138762  0.54465739  1
  C  C59  1  0.93450793  -0.00147864  0.04484777  1
  N  N60  1  0.24662519  0.33565657  0.49333626  1
  N  N61  1  0.25244783  0.66369175  0.99493375  1
  N  N62  1  0.75296889  0.66411599  0.50615614  1
  N  N63  1  0.74721713  0.33617646  0.00558101  1
  N  N64  1  0.35832818  0.11355346  0.45940039  1
  N  N65  1  0.14502360  0.88786707  0.96151047  1
  N  N66  1  0.64194119  0.88642910  0.53989509  1
  N  N67  1  0.85530313  0.11227089  0.03902311  1
  N  N68  1  0.03269322  0.91483468  0.57325674  1
  N  N69  1  0.48217936  0.08507257  0.07175272  1
  N  N70  1  0.96686469  0.08497937  0.42664782  1
  N  N71  1  0.51796114  0.91473377  0.92884753  1
  N  N72  1  0.09288212  0.83083950  0.61447010  1
  N  N73  1  0.41668214  0.16814077  0.11058123  1
  N  N74  1  0.90664602  0.16883570  0.38527844  1
  N  N75  1  0.58322141  0.83155559  0.88993321  1
  N  N76  1  0.15506944  0.74968424  0.64932609  1
  N  N77  1  0.34682156  0.24415297  0.14553258  1
  N  N78  1  0.84473842  0.25004952  0.35020586  1
  N  N79  1  0.65299263  0.75560418  0.85479325  1
  N  N80  1  0.95532836  0.19444350  0.65878636  1
  N  N81  1  0.53139606  0.80183851  0.14826027  1
  N  N82  1  0.04456168  0.80534839  0.34168962  1
  N  N83  1  0.46821578  0.19756245  0.85211403  1
  N  N84  1  0.86819289  0.15699580  0.73451645  1
  N  N85  1  0.62035100  0.84238955  0.22344774  1
  N  N86  1  0.13179028  0.84260947  0.26591876  1
  N  N87  1  0.38014985  0.15729449  0.77652745  1
  N  N88  1  0.77373735  0.12230559  0.80770331  1
  N  N89  1  0.71620490  0.88008872  0.29503630  1
  N  N90  1  0.22646732  0.87779682  0.19292604  1
  N  N91  1  0.28625117  0.12064418  0.70390812  1
