# generated using pymatgen
data_Mn2FeNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11596533
_cell_length_b   10.13580627
_cell_length_c   12.55198487
_cell_angle_alpha   90.04463245
_cell_angle_beta   89.95905946
_cell_angle_gamma   106.45005156
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Ni1 H28 C28 N32'
_cell_volume   990.28370803
_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  0.15743256  0.13173397  0.55309367  1
  Ni  Ni1  1  0.33816260  0.86620462  0.05851558  1
  Mn  Mn2  1  0.84279976  0.86571638  0.44526112  1
  Fe  Fe3  1  0.66043551  0.12349870  0.94534029  1
  H  H4  1  0.11409300  0.44893747  0.58091391  1
  H  H5  1  0.38610828  0.55199973  0.08243402  1
  H  H6  1  0.88501690  0.54987053  0.41797787  1
  H  H7  1  0.61220525  0.45001444  0.91958430  1
  H  H8  1  0.18627931  0.64872154  0.46040914  1
  H  H9  1  0.31414422  0.35294027  0.96287205  1
  H  H10  1  0.81217294  0.35024579  0.53893761  1
  H  H11  1  0.68591906  0.64860757  0.03903058  1
  H  H12  1  0.38832782  0.65382366  0.30459635  1
  H  H13  1  0.11328081  0.34773531  0.80626026  1
  H  H14  1  0.61198764  0.34641170  0.69497386  1
  H  H15  1  0.89105915  0.65404076  0.19402220  1
  H  H16  1  0.49948368  0.44866930  0.27754486  1
  H  H17  1  1.00193480  0.55310931  0.77899372  1
  H  H18  1  0.50145165  0.55235438  0.72211091  1
  H  H19  1  0.00040732  0.44752821  0.22070347  1
  H  H20  1  0.52788817  0.23206011  0.34527442  1
  H  H21  1  0.97257434  0.76920632  0.84806188  1
  H  H22  1  0.47364353  0.76931390  0.65330974  1
  H  H23  1  0.02661511  0.22905952  0.15115283  1
  H  H24  1  0.49614378  0.00081608  0.37625258  1
  H  H25  1  1.00885824  1.00064792  0.87766391  1
  H  H26  1  0.50612746  0.99994324  0.62154993  1
  H  H27  1  -0.00606660  0.00273279  0.12312951  1
  H  H28  1  0.32998714  0.90216425  0.46037490  1
  H  H29  1  0.17283712  0.09913137  0.96425716  1
  H  H30  1  0.67232525  0.09803630  0.53744375  1
  H  H31  1  0.83101246  0.90016770  0.03902931  1
  C  C32  1  0.19304784  0.44810580  0.51065331  1
  C  C33  1  0.30603763  0.55367598  0.01294990  1
  C  C34  1  0.80641588  0.55096565  0.48832303  1
  C  C35  1  0.69233586  0.44806637  0.98911881  1
  C  C36  1  0.23769550  0.56259481  0.44369321  1
  C  C37  1  0.26266783  0.43901392  0.94580749  1
  C  C38  1  0.76136374  0.43674125  0.55553958  1
  C  C39  1  0.73776331  0.56273774  0.05592828  1
  C  C40  1  0.34891340  0.56528983  0.35760679  1
  C  C41  1  0.15200273  0.43612989  0.85951199  1
  C  C42  1  0.65082421  0.43484918  0.64187911  1
  C  C43  1  0.85004264  0.56522323  0.14137058  1
  C  C44  1  0.41250896  0.45362166  0.34256023  1
  C  C45  1  0.08794308  0.54747857  0.84438138  1
  C  C46  1  0.58775193  0.54677905  0.65687673  1
  C  C47  1  0.91308444  0.45333554  0.15614321  1
  C  C48  1  0.35964365  0.34024061  0.41195449  1
  C  C49  1  0.13972402  0.66064854  0.91436597  1
  C  C50  1  0.64077464  0.65975335  0.58713617  1
  C  C51  1  0.85871298  0.33974990  0.08664586  1
  C  C52  1  0.42319759  0.22226083  0.40269876  1
  C  C53  1  0.07750399  0.77967600  0.90504819  1
  C  C54  1  0.57811641  0.77815022  0.59591850  1
  C  C55  1  0.92062654  0.22103117  0.09526868  1
  C  C56  1  0.43446475  -0.00219516  0.45466726  1
  C  C57  1  0.06865000  1.00363984  0.95667974  1
  C  C58  1  0.56790136  1.00235556  0.54321256  1
  C  C59  1  0.93299906  -0.00263544  0.04435878  1
  N  N60  1  0.24501901  0.33460001  0.49336971  1
  N  N61  1  0.25112210  0.66539507  0.99665895  1
  N  N62  1  0.75482581  0.66466535  0.50557663  1
  N  N63  1  0.74514714  0.33523936  0.00525106  1
  N  N64  1  0.35738301  0.11270541  0.45955516  1
  N  N65  1  0.14511809  0.88855753  0.96142558  1
  N  N66  1  0.64449229  0.88705864  0.53835669  1
  N  N67  1  0.85308819  0.11064320  0.03894428  1
  N  N68  1  0.03346133  0.91467015  0.57420309  1
  N  N69  1  0.48127194  0.08405854  0.07528446  1
  N  N70  1  0.96530787  0.08409129  0.42550470  1
  N  N71  1  0.52699090  0.91888873  0.91985827  1
  N  N72  1  0.09514382  0.83147747  0.61532816  1
  N  N73  1  0.41426339  0.16746222  0.11085943  1
  N  N74  1  0.90400274  0.16754762  0.38441950  1
  N  N75  1  0.59186329  0.83390141  0.88457435  1
  N  N76  1  0.15784817  0.75059706  0.65009837  1
  N  N77  1  0.34351124  0.24402662  0.14436472  1
  N  N78  1  0.84240051  0.24905833  0.34961361  1
  N  N79  1  0.65720575  0.75240573  0.85382736  1
  N  N80  1  0.95482616  0.19246640  0.65818138  1
  N  N81  1  0.53389436  0.80388333  0.14696544  1
  N  N82  1  0.03592161  0.80689950  0.34539939  1
  N  N83  1  0.46483711  0.19533832  0.85302107  1
  N  N84  1  0.87081065  0.15920686  0.73600037  1
  N  N85  1  0.61811716  0.84241811  0.22417053  1
  N  N86  1  0.12258569  0.84127910  0.26811839  1
  N  N87  1  0.38039556  0.15721524  0.77563576  1
  N  N88  1  0.77707527  0.12596673  0.80964444  1
  N  N89  1  0.70828115  0.87802550  0.29885958  1
  N  N90  1  0.21550413  0.87320730  0.19496983  1
  N  N91  1  0.29092928  0.12433311  0.70059832  1
