# generated using pymatgen
data_Mn2FeCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11585485
_cell_length_b   10.13623832
_cell_length_c   12.55192784
_cell_angle_alpha   90.02952353
_cell_angle_beta   89.98257722
_cell_angle_gamma   106.45083986
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Co1 H28 C28 N32'
_cell_volume   990.30420350
_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  0.15721392  0.13237429  0.55038857  1
  Fe  Fe1  1  0.33887208  0.87408402  0.05871863  1
  Co  Co2  1  0.84415504  0.87522926  0.43935512  1
  Mn  Mn3  1  0.65731662  0.13321419  0.94944887  1
  H  H4  1  0.11294123  0.44749405  0.58074209  1
  H  H5  1  0.38569533  0.54833428  0.08190983  1
  H  H6  1  0.88626632  0.55031956  0.41752969  1
  H  H7  1  0.61346838  0.44805548  0.91957085  1
  H  H8  1  0.18594596  0.64850092  0.46088956  1
  H  H9  1  0.31305661  0.35099043  0.96120351  1
  H  H10  1  0.81333432  0.35202284  0.53774431  1
  H  H11  1  0.68572440  0.64882306  0.04004169  1
  H  H12  1  0.38764303  0.65370211  0.30489631  1
  H  H13  1  0.11066064  0.34738077  0.80519095  1
  H  H14  1  0.61175588  0.34807442  0.69376315  1
  H  H15  1  0.88837512  0.65483018  0.19492573  1
  H  H16  1  0.50062529  0.44960513  0.27813992  1
  H  H17  1  1.00215405  0.55444171  0.77876164  1
  H  H18  1  0.50242837  0.55444706  0.72076488  1
  H  H19  1  0.00083799  0.45000472  0.22216630  1
  H  H20  1  0.52929751  0.23175725  0.34698212  1
  H  H21  1  0.97623300  0.77228266  0.84819692  1
  H  H22  1  0.47466598  0.76985261  0.65128061  1
  H  H23  1  0.02839579  0.23208911  0.15385852  1
  H  H24  1  0.49409554  0.00022997  0.37650703  1
  H  H25  1  1.00598147  0.99757465  0.87852633  1
  H  H26  1  0.50698321  0.99945490  0.62196171  1
  H  H27  1  -0.00669695  -0.00014337  0.12392824  1
  H  H28  1  0.32954677  0.90130363  0.46136917  1
  H  H29  1  0.16955720  0.09998237  0.96205053  1
  H  H30  1  0.67131297  0.09965234  0.53667159  1
  H  H31  1  0.82841225  0.90181728  0.03888562  1
  C  C32  1  0.19194818  0.44740028  0.51045123  1
  C  C33  1  0.30628239  0.55107886  0.01211653  1
  C  C34  1  0.80664895  0.55281018  0.48719414  1
  C  C35  1  0.69217914  0.44793112  0.98996633  1
  C  C36  1  0.23716578  0.56225970  0.44396332  1
  C  C37  1  0.26149368  0.43707389  0.94456863  1
  C  C38  1  0.76232629  0.43838092  0.55442993  1
  C  C39  1  0.73729971  0.56271563  0.05661399  1
  C  C40  1  0.34878043  0.56528625  0.35803820  1
  C  C41  1  0.15073966  0.43560289  0.85846020  1
  C  C42  1  0.65164032  0.43641277  0.64061899  1
  C  C43  1  0.84905406  0.56574715  0.14244307  1
  C  C44  1  0.41300736  0.45398209  0.34292135  1
  C  C45  1  0.08833413  0.54785364  0.84377405  1
  C  C46  1  0.58876813  0.54840542  0.65564816  1
  C  C47  1  0.91302722  0.45432257  0.15754038  1
  C  C48  1  0.35967500  0.34018108  0.41183539  1
  C  C49  1  0.14174374  0.66059042  0.91410385  1
  C  C50  1  0.64184986  0.66125029  0.58542671  1
  C  C51  1  0.85955673  0.34051965  0.08852863  1
  C  C52  1  0.42312566  0.22223749  0.40322059  1
  C  C53  1  0.08043980  0.77958156  0.90527871  1
  C  C54  1  0.57971858  0.78032800  0.59435104  1
  C  C55  1  0.92289351  0.22250247  0.09715638  1
  C  C56  1  0.43321928  -0.00261702  0.45512139  1
  C  C57  1  0.06742187  1.00282137  0.95718223  1
  C  C58  1  0.56799500  1.00349297  0.54319263  1
  C  C59  1  0.93289930  -0.00259456  0.04520404  1
  N  N60  1  0.24393264  0.33404088  0.49246702  1
  N  N61  1  0.25394983  0.66429664  0.99632547  1
  N  N62  1  0.75318554  0.66510418  0.50325487  1
  N  N63  1  0.74385757  0.33441428  0.00792353  1
  N  N64  1  0.35596950  0.11224622  0.45953975  1
  N  N65  1  0.14700564  0.88928122  0.96251240  1
  N  N66  1  0.64635472  0.88965217  0.53802571  1
  N  N67  1  0.85628568  0.11271477  0.04047905  1
  N  N68  1  0.02226779  0.91612042  0.57040715  1
  N  N69  1  0.46907160  0.08030975  0.08081538  1
  N  N70  1  0.97125018  0.08017402  0.42098707  1
  N  N71  1  0.52229086  0.91409485  0.93143083  1
  N  N72  1  0.08217991  0.82956251  0.60800342  1
  N  N73  1  0.40204936  0.16268579  0.11905987  1
  N  N74  1  0.90202935  0.16044053  0.38241352  1
  N  N75  1  0.58292465  0.82898288  0.89153799  1
  N  N76  1  0.14861737  0.75165570  0.64417439  1
  N  N77  1  0.33872594  0.24500913  0.15009144  1
  N  N78  1  0.83706365  0.24177251  0.35088970  1
  N  N79  1  0.64993385  0.75210328  0.85472117  1
  N  N80  1  0.96731963  0.19387523  0.64728643  1
  N  N81  1  0.53892062  0.80423370  0.15660785  1
  N  N82  1  0.04510615  0.80774395  0.34544755  1
  N  N83  1  0.46739865  0.19443430  0.85305184  1
  N  N84  1  0.88118840  0.15675477  0.72429578  1
  N  N85  1  0.62644749  0.84301537  0.23281377  1
  N  N86  1  0.12751443  0.84257883  0.26738608  1
  N  N87  1  0.38180851  0.15817698  0.77568528  1
  N  N88  1  0.79044138  0.12066282  0.79830755  1
  N  N89  1  0.72066849  0.87665977  0.30540734  1
  N  N90  1  0.21732279  0.87160134  0.19140079  1
  N  N91  1  0.29143571  0.12227849  0.70154280  1
