# generated using pymatgen
data_Mn2FeCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11711133
_cell_length_b   10.13598302
_cell_length_c   12.55505773
_cell_angle_alpha   90.02662263
_cell_angle_beta   90.01106020
_cell_angle_gamma   106.44287307
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Co1 H28 C28 N32'
_cell_volume   990.72019051
_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
  Co  Co0  1  0.15771316  0.12846654  0.55778426  1
  Mn  Mn1  1  0.34059886  0.86737263  0.05432324  1
  Fe  Fe2  1  0.83820835  0.87651372  0.44316103  1
  Mn  Mn3  1  0.65837746  0.13389299  0.94461568  1
  H  H4  1  0.11257069  0.44888635  0.58064380  1
  H  H5  1  0.38383209  0.54935472  0.08076947  1
  H  H6  1  0.88528704  0.54887407  0.41897180  1
  H  H7  1  0.61403156  0.45005857  0.92012141  1
  H  H8  1  0.18509525  0.64824763  0.46092480  1
  H  H9  1  0.31122620  0.34981171  0.96011019  1
  H  H10  1  0.81223039  0.35051756  0.53809503  1
  H  H11  1  0.68749186  0.65006382  0.04077188  1
  H  H12  1  0.38650162  0.65302228  0.30493916  1
  H  H13  1  0.11067673  0.34563550  0.80390177  1
  H  H14  1  0.61233096  0.34689716  0.69555162  1
  H  H15  1  0.88962454  0.65464946  0.19607007  1
  H  H16  1  0.50097269  0.44890554  0.27893663  1
  H  H17  1  0.99870762  0.55051885  0.77763625  1
  H  H18  1  0.49957562  0.55186472  0.72124065  1
  H  H19  1  0.00233173  0.45011372  0.22187600  1
  H  H20  1  0.52666055  0.23145682  0.34674901  1
  H  H21  1  0.97322982  0.76820052  0.84469663  1
  H  H22  1  0.47394702  0.77106208  0.65254293  1
  H  H23  1  0.02687421  0.23209853  0.15491206  1
  H  H24  1  0.49675278  0.00314591  0.37685328  1
  H  H25  1  1.00120757  0.99754635  0.87743204  1
  H  H26  1  0.50213848  0.99575600  0.62219173  1
  H  H27  1  -0.00116834  0.00314982  0.12262325  1
  H  H28  1  0.33017377  0.90186308  0.45959368  1
  H  H29  1  0.17013495  0.09701887  0.95919418  1
  H  H30  1  0.66828416  0.09894258  0.54069778  1
  H  H31  1  0.83026623  0.90336059  0.04092898  1
  C  C32  1  0.19309975  0.44769859  0.51125477  1
  C  C33  1  0.30484958  0.55041817  0.01062860  1
  C  C34  1  0.80551803  0.55105163  0.48865108  1
  C  C35  1  0.69384694  0.44951696  0.98993672  1
  C  C36  1  0.23703800  0.56234442  0.44433638  1
  C  C37  1  0.26010973  0.43607404  0.94344546  1
  C  C38  1  0.76112160  0.43663709  0.55563706  1
  C  C39  1  0.73914481  0.56396967  0.05697576  1
  C  C40  1  0.34845819  0.56494901  0.35845221  1
  C  C41  1  0.14942349  0.43387989  0.85721053  1
  C  C42  1  0.65049692  0.43471358  0.64180491  1
  C  C43  1  0.85076106  0.56638938  0.14276494  1
  C  C44  1  0.41336753  0.45395535  0.34354181  1
  C  C45  1  0.08594589  0.54557450  0.84242739  1
  C  C46  1  0.58681902  0.54628707  0.65655592  1
  C  C47  1  0.91453600  0.45478630  0.15732432  1
  C  C48  1  0.36046302  0.34064072  0.41319029  1
  C  C49  1  0.13908241  0.65876339  0.91207334  1
  C  C50  1  0.64002025  0.65951085  0.58667710  1
  C  C51  1  0.86074144  0.34145577  0.08790107  1
  C  C52  1  0.42258306  0.22151516  0.40429596  1
  C  C53  1  0.07665158  0.77715552  0.90279188  1
  C  C54  1  0.57839308  0.77840930  0.59556140  1
  C  C55  1  0.92321639  0.22306401  0.09692762  1
  C  C56  1  0.43383942  -0.00194015  0.45504434  1
  C  C57  1  0.06535397  1.00138057  0.95506931  1
  C  C58  1  0.56575663  1.00193047  0.54422223  1
  C  C59  1  0.93473318  -0.00080019  0.04492935  1
  N  N60  1  0.24812280  0.33614208  0.49480857  1
  N  N61  1  0.25312458  0.66402503  0.99370635  1
  N  N62  1  0.75255385  0.66369623  0.50474382  1
  N  N63  1  0.74613659  0.33612783  0.00660299  1
  N  N64  1  0.35600316  0.11228174  0.46074187  1
  N  N65  1  0.14188715  0.88627206  0.96035838  1
  N  N66  1  0.64490745  0.88828537  0.53868578  1
  N  N67  1  0.85767911  0.11413840  0.03918726  1
  N  N68  1  0.01598886  0.91476870  0.57024587  1
  N  N69  1  0.46687187  0.08520083  0.07334336  1
  N  N70  1  0.97792359  0.08114111  0.42571308  1
  N  N71  1  0.53324954  0.91502032  0.92677997  1
  N  N72  1  0.08435545  0.83422185  0.60935410  1
  N  N73  1  0.40678298  0.16938813  0.11450938  1
  N  N74  1  0.91565484  0.16703394  0.38875244  1
  N  N75  1  0.59337360  0.83072139  0.88576255  1
  N  N76  1  0.15369109  0.75772391  0.64449106  1
  N  N77  1  0.34461344  0.25047920  0.14959639  1
  N  N78  1  0.84812602  0.24575514  0.35549175  1
  N  N79  1  0.65518518  0.74928255  0.85095014  1
  N  N80  1  0.96974730  0.19545561  0.64766197  1
  N  N81  1  0.54246737  0.80573668  0.15837973  1
  N  N82  1  0.03361924  0.80252300  0.35190655  1
  N  N83  1  0.46544624  0.19649529  0.84281888  1
  N  N84  1  0.88167892  0.15647600  0.72325999  1
  N  N85  1  0.62992365  0.84183830  0.23439909  1
  N  N86  1  0.12132543  0.84270655  0.27625706  1
  N  N87  1  0.37310728  0.15819811  0.76862220  1
  N  N88  1  0.78795159  0.12067839  0.79623398  1
  N  N89  1  0.72608979  0.87686692  0.30669938  1
  N  N90  1  0.21422255  0.87980379  0.20324545  1
  N  N91  1  0.27693988  0.11493201  0.69821134  1
