# generated using pymatgen
data_MnFeH14(C7N8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11759788
_cell_length_b   10.13628694
_cell_length_c   12.55634973
_cell_angle_alpha   90.03443822
_cell_angle_beta   89.98774197
_cell_angle_gamma   106.44525259
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH14(C7N8)2
_chemical_formula_sum   'Mn2 Fe2 H28 C28 N32'
_cell_volume   990.89908093
_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  0.16346046  0.12614728  0.55799519  1
  Fe  Fe1  1  0.33703263  0.87409563  0.05825754  1
  Mn  Mn2  1  0.83976918  0.86784620  0.44643085  1
  Mn  Mn3  1  0.66091141  0.13206015  0.94690161  1
  H  H4  1  0.11309062  0.45041079  0.57994033  1
  H  H5  1  0.38503968  0.54849691  0.08044279  1
  H  H6  1  0.88440242  0.55005872  0.41896970  1
  H  H7  1  0.61379565  0.44920430  0.92042119  1
  H  H8  1  0.18602465  0.64886669  0.46044654  1
  H  H9  1  0.31191683  0.35018636  0.96071622  1
  H  H10  1  0.81204838  0.35030963  0.53946458  1
  H  H11  1  0.68686844  0.64945267  0.04062498  1
  H  H12  1  0.38737704  0.65337674  0.30397548  1
  H  H13  1  0.11180424  0.34647981  0.80372343  1
  H  H14  1  0.61244117  0.34638533  0.69612150  1
  H  H15  1  0.88891972  0.65462484  0.19618028  1
  H  H16  1  0.50188991  0.44917347  0.27877215  1
  H  H17  1  0.99847782  0.55125232  0.77846132  1
  H  H18  1  0.49845599  0.55043147  0.72187316  1
  H  H19  1  0.00331026  0.45083022  0.22165159  1
  H  H20  1  0.52578000  0.22892589  0.34657260  1
  H  H21  1  0.97505646  0.77168841  0.84648080  1
  H  H22  1  0.47268827  0.76853115  0.65475509  1
  H  H23  1  0.02778199  0.23212005  0.15515587  1
  H  H24  1  0.49969373  0.00568193  0.37730864  1
  H  H25  1  1.00120346  0.99487007  0.87805928  1
  H  H26  1  0.50051946  0.99612490  0.62245656  1
  H  H27  1  -0.00010615  0.00441046  0.12322963  1
  H  H28  1  0.33175907  0.90164767  0.45707824  1
  H  H29  1  0.16931272  0.09838977  0.95808124  1
  H  H30  1  0.66859713  0.09744404  0.54134437  1
  H  H31  1  0.83211826  0.90285782  0.04196467  1
  C  C32  1  0.19383226  0.44870643  0.51063479  1
  C  C33  1  0.30484037  0.55055313  0.01095063  1
  C  C34  1  0.80543375  0.55093464  0.48916339  1
  C  C35  1  0.69361015  0.44879862  0.99026247  1
  C  C36  1  0.23825901  0.56315931  0.44362400  1
  C  C37  1  0.26031245  0.43616794  0.94377379  1
  C  C38  1  0.76081112  0.43656181  0.55620788  1
  C  C39  1  0.73861765  0.56344764  0.05711790  1
  C  C40  1  0.34977047  0.56559851  0.35776207  1
  C  C41  1  0.14951160  0.43418488  0.85764036  1
  C  C42  1  0.65017644  0.43430353  0.64249369  1
  C  C43  1  0.85049244  0.56637814  0.14282561  1
  C  C44  1  0.41425152  0.45436682  0.34331900  1
  C  C45  1  0.08565336  0.54571969  0.84316521  1
  C  C46  1  0.58599232  0.54568132  0.65715848  1
  C  C47  1  0.91496539  0.45514777  0.15732623  1
  C  C48  1  0.36083906  0.34097189  0.41301258  1
  C  C49  1  0.13904897  0.65896590  0.91311204  1
  C  C50  1  0.63916472  0.65896226  0.58771224  1
  C  C51  1  0.86111249  0.34146934  0.08821431  1
  C  C52  1  0.42207438  0.22206006  0.40394900  1
  C  C53  1  0.07826659  0.77811645  0.90412144  1
  C  C54  1  0.57644645  0.77712099  0.59692897  1
  C  C55  1  0.92390140  0.22336063  0.09740936  1
  C  C56  1  0.43454377  -0.00137822  0.45487777  1
  C  C57  1  0.06620078  1.00161117  0.95564532  1
  C  C58  1  0.56466203  1.00124661  0.54477902  1
  C  C59  1  0.93593301  -0.00089616  0.04548933  1
  N  N60  1  0.24782537  0.33632519  0.49489154  1
  N  N61  1  0.25163007  0.66323125  0.99514773  1
  N  N62  1  0.75401163  0.66459945  0.50647043  1
  N  N63  1  0.74569793  0.33541446  0.00727457  1
  N  N64  1  0.35534797  0.11226548  0.46104323  1
  N  N65  1  0.14492307  0.88768288  0.96156597  1
  N  N66  1  0.64216019  0.88656107  0.53973950  1
  N  N67  1  0.85823134  0.11365836  0.04041049  1
  N  N68  1  0.02978080  0.91778671  0.57494563  1
  N  N69  1  0.47025627  0.08230633  0.07484758  1
  N  N70  1  0.97743055  0.08589457  0.42949097  1
  N  N71  1  0.52255825  0.91376729  0.93052129  1
  N  N72  1  0.09399669  0.83506765  0.61530621  1
  N  N73  1  0.40569237  0.16478768  0.11536394  1
  N  N74  1  0.91698910  0.17141517  0.39040148  1
  N  N75  1  0.58261871  0.82808097  0.89117099  1
  N  N76  1  0.15607257  0.75323096  0.64885550  1
  N  N77  1  0.34354460  0.24649481  0.14911077  1
  N  N78  1  0.85030131  0.24864824  0.35388269  1
  N  N79  1  0.64917686  0.75086233  0.85442748  1
  N  N80  1  0.96895174  0.19842773  0.64985183  1
  N  N81  1  0.53008121  0.80039092  0.15003155  1
  N  N82  1  0.04496308  0.80720723  0.34368652  1
  N  N83  1  0.45531185  0.19272959  0.84323898  1
  N  N84  1  0.87861597  0.15617311  0.72416001  1
  N  N85  1  0.62143708  0.84307157  0.22385207  1
  N  N86  1  0.13025870  0.84106971  0.26657388  1
  N  N87  1  0.37044214  0.15918720  0.76591158  1
  N  N88  1  0.78180846  0.11538259  0.79487536  1
  N  N89  1  0.71931247  0.88374691  0.29406889  1
  N  N90  1  0.22479832  0.87553260  0.19346484  1
  N  N91  1  0.27561555  0.12531345  0.69289502  1
