# generated using pymatgen
data_Mn2FeNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11654648
_cell_length_b   10.13556636
_cell_length_c   12.55318656
_cell_angle_alpha   90.02777235
_cell_angle_beta   89.98990960
_cell_angle_gamma   106.45355212
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Ni1 H28 C28 N32'
_cell_volume   990.40843374
_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  0.15578721  0.13137656  0.54988627  1
  Fe  Fe1  1  0.34031663  0.87368616  0.05802181  1
  Ni  Ni2  1  0.83542491  0.87333184  0.44259528  1
  Mn  Mn3  1  0.65763465  0.13350971  0.94898669  1
  H  H4  1  0.11288470  0.44762506  0.58046229  1
  H  H5  1  0.38555023  0.54843935  0.08177681  1
  H  H6  1  0.88595504  0.55264044  0.41741148  1
  H  H7  1  0.61367217  0.44838000  0.91967078  1
  H  H8  1  0.18646610  0.64868004  0.46084669  1
  H  H9  1  0.31292418  0.35093046  0.96114669  1
  H  H10  1  0.81349635  0.35342905  0.53670646  1
  H  H11  1  0.68576444  0.64895260  0.04024940  1
  H  H12  1  0.39010943  0.65469790  0.30577935  1
  H  H13  1  0.11094961  0.34725482  0.80511715  1
  H  H14  1  0.61257276  0.34807940  0.69324935  1
  H  H15  1  0.88702347  0.65415806  0.19596757  1
  H  H16  1  0.50134920  0.44980527  0.27844396  1
  H  H17  1  1.00205323  0.55426913  0.77859651  1
  H  H18  1  0.50193157  0.55402307  0.72090749  1
  H  H19  1  0.00091553  0.45004448  0.22225071  1
  H  H20  1  0.52949575  0.23200652  0.34705818  1
  H  H21  1  0.97609752  0.77230775  0.84800105  1
  H  H22  1  0.47193452  0.76887071  0.65255376  1
  H  H23  1  0.02795725  0.23195705  0.15433437  1
  H  H24  1  0.49475179  0.00032991  0.37674075  1
  H  H25  1  1.00509287  0.99708099  0.87864876  1
  H  H26  1  0.50516982  1.00047113  0.62227070  1
  H  H27  1  -0.00596269  0.00032247  0.12409231  1
  H  H28  1  0.32939710  0.90133520  0.46094806  1
  H  H29  1  0.16929457  0.09983408  0.96168689  1
  H  H30  1  0.67081694  0.09959545  0.53704917  1
  H  H31  1  0.82881789  0.90183850  0.03953769  1
  C  C32  1  0.19189195  0.44738235  0.51022300  1
  C  C33  1  0.30619310  0.55111861  0.01196582  1
  C  C34  1  0.80584632  0.55442812  0.48695944  1
  C  C35  1  0.69249802  0.44816575  0.98999130  1
  C  C36  1  0.23763351  0.56243250  0.44394506  1
  C  C37  1  0.26133959  0.43701197  0.94450745  1
  C  C38  1  0.76221636  0.43957293  0.55389000  1
  C  C39  1  0.73737005  0.56285172  0.05679008  1
  C  C40  1  0.34977094  0.56569182  0.35828282  1
  C  C41  1  0.15056188  0.43550037  0.85838846  1
  C  C42  1  0.65159567  0.43662269  0.64024514  1
  C  C43  1  0.84866280  0.56562229  0.14280800  1
  C  C44  1  0.41356993  0.45418819  0.34310209  1
  C  C45  1  0.08801042  0.54767784  0.84372846  1
  C  C46  1  0.58800643  0.54815337  0.65559333  1
  C  C47  1  0.91310569  0.45437367  0.15761950  1
  C  C48  1  0.35953971  0.34015132  0.41175038  1
  C  C49  1  0.14147519  0.66051895  0.91395182  1
  C  C50  1  0.63993256  0.66130716  0.58559195  1
  C  C51  1  0.85977751  0.34065030  0.08852375  1
  C  C52  1  0.42299522  0.22225910  0.40306820  1
  C  C53  1  0.08029021  0.77956232  0.90511156  1
  C  C54  1  0.57683865  0.77985730  0.59551575  1
  C  C55  1  0.92288107  0.22247930  0.09734204  1
  C  C56  1  0.43292011  -0.00242721  0.45503423  1
  C  C57  1  0.06718403  1.00262070  0.95710746  1
  C  C58  1  0.56677755  1.00392980  0.54374375  1
  C  C59  1  0.93324967  -0.00247819  0.04546571  1
  N  N60  1  0.24347027  0.33385755  0.49221309  1
  N  N61  1  0.25384919  0.66433564  0.99607460  1
  N  N62  1  0.75118601  0.66617241  0.50310436  1
  N  N63  1  0.74440803  0.33472250  0.00777103  1
  N  N64  1  0.35522944  0.11212017  0.45915232  1
  N  N65  1  0.14707331  0.88927854  0.96226569  1
  N  N66  1  0.64362755  0.88934237  0.53973293  1
  N  N67  1  0.85645667  0.11279881  0.04049507  1
  N  N68  1  0.02893693  0.91645840  0.57511407  1
  N  N69  1  0.47061290  0.08216222  0.07937021  1
  N  N70  1  0.96659107  0.07905129  0.42015268  1
  N  N71  1  0.52270764  0.91373607  0.93044211  1
  N  N72  1  0.08891793  0.83012417  0.61212899  1
  N  N73  1  0.40302721  0.16360757  0.11845683  1
  N  N74  1  0.90142611  0.16221252  0.38244977  1
  N  N75  1  0.58353155  0.82861028  0.89081725  1
  N  N76  1  0.15266493  0.74912582  0.64596153  1
  N  N77  1  0.33926152  0.24539152  0.15011140  1
  N  N78  1  0.83858934  0.24499169  0.35126624  1
  N  N79  1  0.65047794  0.75146365  0.85440252  1
  N  N80  1  0.96751461  0.19413213  0.64730685  1
  N  N81  1  0.53719287  0.80427707  0.15467998  1
  N  N82  1  0.05045764  0.80191961  0.34244579  1
  N  N83  1  0.46753184  0.19453151  0.85248333  1
  N  N84  1  0.88095761  0.15715974  0.72409420  1
  N  N85  1  0.62374725  0.84215055  0.23159514  1
  N  N86  1  0.13201830  0.83879954  0.26471488  1
  N  N87  1  0.38106629  0.15776156  0.77551746  1
  N  N88  1  0.78957633  0.11982959  0.79768638  1
  N  N89  1  0.71601873  0.87190104  0.30529723  1
  N  N90  1  0.22339525  0.87570934  0.19029652  1
  N  N91  1  0.29070591  0.12379322  0.70117136  1
