# generated using pymatgen
data_MnFeH14(C7N8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11743191
_cell_length_b   10.13670686
_cell_length_c   12.55534577
_cell_angle_alpha   90.03421116
_cell_angle_beta   89.98826034
_cell_angle_gamma   106.44803374
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH14(C7N8)2
_chemical_formula_sum   'Mn2 Fe2 H28 C28 N32'
_cell_volume   990.82644478
_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
  Fe  Fe0  1  0.16502064  0.12333370  0.55697187  1
  Mn  Mn1  1  0.34165716  0.86668791  0.05267695  1
  Mn  Mn2  1  0.84167000  0.86659177  0.44748746  1
  Fe  Fe3  1  0.66493914  0.12321097  0.94321098  1
  H  H4  1  0.11276623  0.45051454  0.58042643  1
  H  H5  1  0.38444407  0.55044344  0.08067953  1
  H  H6  1  0.88451354  0.55064496  0.41892941  1
  H  H7  1  0.61285350  0.45084366  0.92008892  1
  H  H8  1  0.18562140  0.64847384  0.46076650  1
  H  H9  1  0.31171902  0.35004529  0.96016345  1
  H  H10  1  0.81205047  0.35030955  0.53938534  1
  H  H11  1  0.68618084  0.64889452  0.03976993  1
  H  H12  1  0.38782337  0.65290219  0.30435879  1
  H  H13  1  0.11224593  0.34587520  0.80381476  1
  H  H14  1  0.61312228  0.34630469  0.69599818  1
  H  H15  1  0.88938514  0.65363465  0.19566519  1
  H  H16  1  0.50072983  0.44792401  0.27908860  1
  H  H17  1  0.99811584  0.54990813  0.77797931  1
  H  H18  1  0.49855721  0.55020552  0.72193758  1
  H  H19  1  0.00155688  0.44829705  0.22091095  1
  H  H20  1  0.52557490  0.22919222  0.34680259  1
  H  H21  1  0.97244238  0.76804900  0.84529298  1
  H  H22  1  0.47206899  0.76808543  0.65437393  1
  H  H23  1  0.02535847  0.22918351  0.15336321  1
  H  H24  1  0.49898644  0.00503121  0.37744565  1
  H  H25  1  1.00267507  0.99755446  0.87705847  1
  H  H26  1  0.50238017  0.99752114  0.62279327  1
  H  H27  1  -0.00129482  0.00505821  0.12241725  1
  H  H28  1  0.33235281  0.90108376  0.45829618  1
  H  H29  1  0.17046091  0.09769235  0.95919181  1
  H  H30  1  0.67025871  0.09776485  0.54081873  1
  H  H31  1  0.83211948  0.90127733  0.04136425  1
  C  C32  1  0.19325384  0.44842070  0.51103800  1
  C  C33  1  0.30557160  0.55093437  0.01044304  1
  C  C34  1  0.80572058  0.55111355  0.48922835  1
  C  C35  1  0.69349781  0.44875960  0.98937580  1
  C  C36  1  0.23779347  0.56276929  0.44392951  1
  C  C37  1  0.26066503  0.43637235  0.94355014  1
  C  C38  1  0.76100113  0.43663961  0.55610860  1
  C  C39  1  0.73839182  0.56320633  0.05647316  1
  C  C40  1  0.34921791  0.56511931  0.35803615  1
  C  C41  1  0.14992386  0.43397226  0.85735689  1
  C  C42  1  0.65045271  0.43430453  0.64242277  1
  C  C43  1  0.85016362  0.56562710  0.14216596  1
  C  C44  1  0.41321177  0.45368189  0.34354507  1
  C  C45  1  0.08573870  0.54530948  0.84263671  1
  C  C46  1  0.58606161  0.54554681  0.65719716  1
  C  C47  1  0.91387224  0.45405065  0.15658394  1
  C  C48  1  0.35972938  0.34056296  0.41338281  1
  C  C49  1  0.13917143  0.65880645  0.91192357  1
  C  C50  1  0.63920790  0.65894175  0.58789110  1
  C  C51  1  0.85998411  0.34082647  0.08676948  1
  C  C52  1  0.42162933  0.22197753  0.40405820  1
  C  C53  1  0.07653167  0.77708921  0.90290052  1
  C  C54  1  0.57637690  0.77712490  0.59690896  1
  C  C55  1  0.92165055  0.22212703  0.09598758  1
  C  C56  1  0.43488450  -0.00185579  0.45535013  1
  C  C57  1  0.06609332  1.00171170  0.95497695  1
  C  C58  1  0.56599464  1.00170945  0.54492395  1
  C  C59  1  0.93480234  -0.00175510  0.04445957  1
  N  N60  1  0.24687001  0.33589438  0.49537119  1
  N  N61  1  0.25434991  0.66462602  0.99279617  1
  N  N62  1  0.75444853  0.66478380  0.50702111  1
  N  N63  1  0.74702977  0.33619520  0.00488229  1
  N  N64  1  0.35581712  0.11180293  0.46079262  1
  N  N65  1  0.14272768  0.88644769  0.96011220  1
  N  N66  1  0.64269014  0.88648510  0.53980268  1
  N  N67  1  0.85588096  0.11200745  0.03908952  1
  N  N68  1  0.03035416  0.91903495  0.57778933  1
  N  N69  1  0.47875780  0.08622145  0.06781239  1
  N  N70  1  0.97871383  0.08593493  0.43211136  1
  N  N71  1  0.53076244  0.91865232  0.92284665  1
  N  N72  1  0.09489061  0.83569842  0.61695003  1
  N  N73  1  0.41848231  0.17149653  0.10774159  1
  N  N74  1  0.91841396  0.17112722  0.39218053  1
  N  N75  1  0.59528186  0.83546729  0.88332829  1
  N  N76  1  0.15734980  0.75322016  0.64865891  1
  N  N77  1  0.35162623  0.24780828  0.14563025  1
  N  N78  1  0.85158941  0.24737241  0.35424881  1
  N  N79  1  0.65742692  0.75296405  0.85120035  1
  N  N80  1  0.95319357  0.19595377  0.65747555  1
  N  N81  1  0.53110679  0.80268709  0.14914341  1
  N  N82  1  0.03242626  0.80342361  0.35164434  1
  N  N83  1  0.45348677  0.19618986  0.84258612  1
  N  N84  1  0.86908889  0.15736545  0.73420606  1
  N  N85  1  0.62114421  0.84160741  0.22424750  1
  N  N86  1  0.12122429  0.84211194  0.27600937  1
  N  N87  1  0.36947601  0.15788678  0.76576544  1
  N  N88  1  0.77635142  0.12349064  0.80822424  1
  N  N89  1  0.71735338  0.88301503  0.29510261  1
  N  N90  1  0.21592589  0.88319289  0.20440220  1
  N  N91  1  0.27681625  0.12421779  0.69168719  1
