# generated using pymatgen
data_Mn3FeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11900495
_cell_length_b   10.13742184
_cell_length_c   12.55941688
_cell_angle_alpha   90.03715328
_cell_angle_beta   89.97583282
_cell_angle_gamma   106.44564780
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3FeH28(C7N8)4
_chemical_formula_sum   'Mn3 Fe1 H28 C28 N32'
_cell_volume   991.42184344
_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  0.15876621  0.13363332  0.55164206  1
  Fe  Fe1  1  0.33751213  0.87471686  0.05769705  1
  Mn  Mn2  1  0.83940175  0.86754915  0.44625579  1
  Mn  Mn3  1  0.65896007  0.13289883  0.94746004  1
  H  H4  1  0.11395048  0.44866866  0.58025200  1
  H  H5  1  0.38506759  0.54853947  0.08066481  1
  H  H6  1  0.88395961  0.55002080  0.41882012  1
  H  H7  1  0.61387205  0.44869529  0.92030849  1
  H  H8  1  0.18688881  0.64927162  0.46005072  1
  H  H9  1  0.31224750  0.35047443  0.96092648  1
  H  H10  1  0.81157232  0.35020948  0.53933810  1
  H  H11  1  0.68668194  0.64940415  0.04042397  1
  H  H12  1  0.38765451  0.65398435  0.30403638  1
  H  H13  1  0.11130066  0.34659845  0.80416367  1
  H  H14  1  0.61158930  0.34624242  0.69585530  1
  H  H15  1  0.88856310  0.65460327  0.19590091  1
  H  H16  1  0.50208192  0.45038126  0.27818855  1
  H  H17  1  0.99938190  0.55199329  0.77860847  1
  H  H18  1  0.49909257  0.55089126  0.72207107  1
  H  H19  1  0.00283612  0.45082252  0.22165207  1
  H  H20  1  0.52833181  0.23212017  0.34553448  1
  H  H21  1  0.97477584  0.77149958  0.84711424  1
  H  H22  1  0.47210414  0.76814237  0.65452536  1
  H  H23  1  0.02845966  0.23280705  0.15458096  1
  H  H24  1  0.49879423  0.00270797  0.37715193  1
  H  H25  1  1.00202657  0.99552285  0.87812160  1
  H  H26  1  0.50035606  0.99723210  0.62212732  1
  H  H27  1  -0.00188124  0.00282388  0.12326637  1
  H  H28  1  0.32999576  0.90285825  0.45854802  1
  H  H29  1  0.16887891  0.09865461  0.95911329  1
  H  H30  1  0.66901900  0.09705158  0.54046146  1
  H  H31  1  0.83093854  0.90270716  0.04103796  1
  C  C32  1  0.19370257  0.44866033  0.51035660  1
  C  C33  1  0.30511093  0.55072039  0.01112892  1
  C  C34  1  0.80500584  0.55078886  0.48900843  1
  C  C35  1  0.69338572  0.44861980  0.99027229  1
  C  C36  1  0.23854715  0.56323572  0.44357750  1
  C  C37  1  0.26060857  0.43639531  0.94396499  1
  C  C38  1  0.76041572  0.43646048  0.55606940  1
  C  C39  1  0.73837430  0.56338014  0.05694350  1
  C  C40  1  0.34987115  0.56600313  0.35757871  1
  C  C41  1  0.14978338  0.43441505  0.85789323  1
  C  C42  1  0.64990956  0.43424031  0.64239894  1
  C  C43  1  0.85019522  0.56631223  0.14264904  1
  C  C44  1  0.41446716  0.45486288  0.34287686  1
  C  C45  1  0.08622920  0.54607494  0.84336936  1
  C  C46  1  0.58610084  0.54579083  0.65718736  1
  C  C47  1  0.91474022  0.45516344  0.15723764  1
  C  C48  1  0.36127139  0.34135626  0.41203416  1
  C  C49  1  0.13960807  0.65927423  0.91331559  1
  C  C50  1  0.63895377  0.65890820  0.58762239  1
  C  C51  1  0.86093754  0.34140188  0.08826521  1
  C  C52  1  0.42398603  0.22319724  0.40291385  1
  C  C53  1  0.07851923  0.77831533  0.90441975  1
  C  C54  1  0.57605569  0.77707222  0.59682595  1
  C  C55  1  0.92397721  0.22329686  0.09721054  1
  C  C56  1  0.43441224  -0.00130350  0.45470125  1
  C  C57  1  0.06609080  1.00183566  0.95592581  1
  C  C58  1  0.56453755  1.00131681  0.54454469  1
  C  C59  1  0.93504922  -0.00132756  0.04534373  1
  N  N60  1  0.24643221  0.33553371  0.49313304  1
  N  N61  1  0.25203365  0.66343427  0.99533439  1
  N  N62  1  0.75328154  0.66433857  0.50617555  1
  N  N63  1  0.74540881  0.33527531  0.00764218  1
  N  N64  1  0.35756911  0.11376037  0.45997860  1
  N  N65  1  0.14522325  0.88810125  0.96157444  1
  N  N66  1  0.64153877  0.88644061  0.53967257  1
  N  N67  1  0.85797094  0.11370002  0.04026235  1
  N  N68  1  0.03348111  0.91591604  0.57295620  1
  N  N69  1  0.47060525  0.08219297  0.07731578  1
  N  N70  1  0.96736833  0.08468012  0.42441276  1
  N  N71  1  0.52190635  0.91386249  0.93020785  1
  N  N72  1  0.09398710  0.83222691  0.61442138  1
  N  N73  1  0.40488744  0.16465190  0.11668767  1
  N  N74  1  0.90629233  0.16877613  0.38416905  1
  N  N75  1  0.58259021  0.82827358  0.89130926  1
  N  N76  1  0.15453627  0.75006304  0.64917595  1
  N  N77  1  0.34191891  0.24643292  0.14929246  1
  N  N78  1  0.84395367  0.25034769  0.35033575  1
  N  N79  1  0.64954132  0.75129716  0.85462829  1
  N  N80  1  0.97005195  0.19769469  0.64950691  1
  N  N81  1  0.53063425  0.80127765  0.14957741  1
  N  N82  1  0.04497104  0.80575917  0.34264385  1
  N  N83  1  0.46850345  0.19660386  0.85168001  1
  N  N84  1  0.88007834  0.15762209  0.72440534  1
  N  N85  1  0.62075594  0.84229450  0.22415410  1
  N  N86  1  0.13019590  0.84128103  0.26573939  1
  N  N87  1  0.38023465  0.15863796  0.77572761  1
  N  N88  1  0.78377395  0.11629497  0.79525222  1
  N  N89  1  0.71707343  0.88076673  0.29540261  1
  N  N90  1  0.22411412  0.87394756  0.19213948  1
  N  N91  1  0.28606735  0.12033712  0.70356362  1
