# generated using pymatgen
data_Mn3FeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11909327
_cell_length_b   10.13707239
_cell_length_c   12.55984888
_cell_angle_alpha   90.03695004
_cell_angle_beta   89.97732643
_cell_angle_gamma   106.44392249
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3FeH28(C7N8)4
_chemical_formula_sum   'Mn3 Fe1 H28 C28 N32'
_cell_volume   991.44137270
_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  0.16123105  0.13229741  0.55340744  1
  Mn  Mn1  1  0.34101222  0.86701852  0.05310466  1
  Mn  Mn2  1  0.84098807  0.86610279  0.44790466  1
  Fe  Fe3  1  0.66321227  0.12558274  0.94236651  1
  H  H4  1  0.11404026  0.44891289  0.57996721  1
  H  H5  1  0.38431863  0.55033469  0.08047271  1
  H  H6  1  0.88413117  0.55033121  0.41905439  1
  H  H7  1  0.61313672  0.45058092  0.92059129  1
  H  H8  1  0.18692337  0.64922630  0.45990663  1
  H  H9  1  0.31163070  0.34991770  0.96010753  1
  H  H10  1  0.81132475  0.34999896  0.53947185  1
  H  H11  1  0.68647072  0.64911762  0.03995996  1
  H  H12  1  0.38823580  0.65415553  0.30389160  1
  H  H13  1  0.11166453  0.34575753  0.80373940  1
  H  H14  1  0.61189957  0.34606508  0.69610996  1
  H  H15  1  0.88920789  0.65411039  0.19591794  1
  H  H16  1  0.50233703  0.45021933  0.27812928  1
  H  H17  1  0.99785748  0.54982571  0.77801046  1
  H  H18  1  0.49826661  0.55013718  0.72209440  1
  H  H19  1  0.00240144  0.44928131  0.22119239  1
  H  H20  1  0.52814887  0.23231073  0.34480002  1
  H  H21  1  0.97269391  0.76791757  0.84500792  1
  H  H22  1  0.47234073  0.76854435  0.65465396  1
  H  H23  1  0.02582046  0.22907471  0.15346622  1
  H  H24  1  0.50123724  0.00402954  0.37702239  1
  H  H25  1  1.00145785  0.99691483  0.87736518  1
  H  H26  1  0.50070245  0.99703908  0.62196182  1
  H  H27  1  -0.00047361  0.00575011  0.12245149  1
  H  H28  1  0.33229288  0.90324407  0.45784218  1
  H  H29  1  0.16949579  0.09723849  0.95884441  1
  H  H30  1  0.67032660  0.09694142  0.54120070  1
  H  H31  1  0.83211778  0.90204216  0.04218286  1
  C  C32  1  0.19411357  0.44878762  0.51021986  1
  C  C33  1  0.30519040  0.55074007  0.01037373  1
  C  C34  1  0.80480113  0.55064960  0.48910998  1
  C  C35  1  0.69406775  0.44893409  0.98975764  1
  C  C36  1  0.23882586  0.56332345  0.44336328  1
  C  C37  1  0.26037875  0.43616082  0.94348559  1
  C  C38  1  0.76011129  0.43624787  0.55608429  1
  C  C39  1  0.73883753  0.56351244  0.05668744  1
  C  C40  1  0.35018402  0.56616282  0.35740190  1
  C  C41  1  0.14947418  0.43373548  0.85736959  1
  C  C42  1  0.64952191  0.43391604  0.64241532  1
  C  C43  1  0.85065636  0.56611148  0.14233029  1
  C  C44  1  0.41468018  0.45492076  0.34275148  1
  C  C45  1  0.08531990  0.54509907  0.84271255  1
  C  C46  1  0.58530228  0.54526331  0.65715751  1
  C  C47  1  0.91482899  0.45472883  0.15672685  1
  C  C48  1  0.36155557  0.34153516  0.41204249  1
  C  C49  1  0.13874970  0.65853630  0.91201654  1
  C  C50  1  0.63818975  0.65848672  0.58769468  1
  C  C51  1  0.86110317  0.34125019  0.08708642  1
  C  C52  1  0.42440787  0.22340402  0.40264679  1
  C  C53  1  0.07627866  0.77688192  0.90290777  1
  C  C54  1  0.57594937  0.77684183  0.59687335  1
  C  C55  1  0.92227368  0.22229423  0.09603773  1
  C  C56  1  0.43637708  -0.00074742  0.45442849  1
  C  C57  1  0.06521087  1.00131898  0.95507995  1
  C  C58  1  0.56572151  1.00118551  0.54461352  1
  C  C59  1  0.93488123  -0.00109370  0.04479741  1
  N  N60  1  0.24684915  0.33570286  0.49332300  1
  N  N61  1  0.25361685  0.66426992  0.99298441  1
  N  N62  1  0.75256174  0.66398980  0.50634965  1
  N  N63  1  0.74799387  0.33658963  0.00535560  1
  N  N64  1  0.35907031  0.11391378  0.45970961  1
  N  N65  1  0.14189418  0.88611483  0.96031970  1
  N  N66  1  0.64209322  0.88588638  0.53933750  1
  N  N67  1  0.85569122  0.11255016  0.03882302  1
  N  N68  1  0.03168946  0.91499162  0.57519513  1
  N  N69  1  0.47788818  0.08617834  0.07006248  1
  N  N70  1  0.96640685  0.08392590  0.42685987  1
  N  N71  1  0.52971602  0.91760350  0.92393872  1
  N  N72  1  0.09264672  0.83068180  0.61524184  1
  N  N73  1  0.41732254  0.17170004  0.10911615  1
  N  N74  1  0.90625883  0.16781337  0.38540130  1
  N  N75  1  0.59470814  0.83490318  0.88425099  1
  N  N76  1  0.15494586  0.74901935  0.64896197  1
  N  N77  1  0.35052496  0.24873162  0.14591588  1
  N  N78  1  0.84594462  0.25009595  0.35058253  1
  N  N79  1  0.65656275  0.75262411  0.85126866  1
  N  N80  1  0.95603704  0.19495769  0.65776113  1
  N  N81  1  0.53073861  0.80197837  0.14890266  1
  N  N82  1  0.03019238  0.80118284  0.35065934  1
  N  N83  1  0.46939912  0.19867175  0.85088187  1
  N  N84  1  0.86955049  0.15838111  0.73399987  1
  N  N85  1  0.62076924  0.84088644  0.22400506  1
  N  N86  1  0.12067806  0.84192347  0.27608659  1
  N  N87  1  0.37987179  0.15765497  0.77603622  1
  N  N88  1  0.77519108  0.12439162  0.80725453  1
  N  N89  1  0.71763983  0.88112220  0.29468688  1
  N  N90  1  0.21794701  0.88424310  0.20584295  1
  N  N91  1  0.28416315  0.11912823  0.70452585  1
