# generated using pymatgen
data_Mn2FeCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11711266
_cell_length_b   10.13534554
_cell_length_c   12.55573364
_cell_angle_alpha   90.03654618
_cell_angle_beta   89.99350124
_cell_angle_gamma   106.44392362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Co1 H28 C28 N32'
_cell_volume   990.70597376
_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
  Fe  Fe0  1  0.16346384  0.12653564  0.56043212  1
  Mn  Mn1  1  0.34191157  0.86734458  0.05197582  1
  Mn  Mn2  1  0.84211757  0.86777098  0.44747302  1
  Co  Co3  1  0.65331219  0.12570068  0.94385542  1
  H  H4  1  0.11282814  0.45066250  0.58021536  1
  H  H5  1  0.38436303  0.55025843  0.08039623  1
  H  H6  1  0.88412566  0.55032519  0.41912117  1
  H  H7  1  0.61273828  0.44965146  0.92022256  1
  H  H8  1  0.18586244  0.64879443  0.46055648  1
  H  H9  1  0.31098096  0.34962805  0.96009112  1
  H  H10  1  0.81208236  0.35005282  0.53965695  1
  H  H11  1  0.68656246  0.64858983  0.03960544  1
  H  H12  1  0.38786387  0.65307332  0.30414898  1
  H  H13  1  0.11021551  0.34527898  0.80395038  1
  H  H14  1  0.61251787  0.34596520  0.69627830  1
  H  H15  1  0.88895670  0.65372699  0.19526175  1
  H  H16  1  0.50105119  0.44818951  0.27895650  1
  H  H17  1  0.99751827  0.54973131  0.77797409  1
  H  H18  1  0.49831275  0.55005242  0.72211880  1
  H  H19  1  0.00211819  0.44892913  0.22096165  1
  H  H20  1  0.52456777  0.22842301  0.34678169  1
  H  H21  1  0.97255931  0.76815725  0.84513080  1
  H  H22  1  0.47294802  0.76820545  0.65515357  1
  H  H23  1  0.02598124  0.23116032  0.15376335  1
  H  H24  1  0.49957994  0.00615142  0.37772051  1
  H  H25  1  1.00077005  0.99742000  0.87732296  1
  H  H26  1  0.50164698  0.99684860  0.62293885  1
  H  H27  1  -0.00136990  0.00383073  0.12245676  1
  H  H28  1  0.33245541  0.90197371  0.45784440  1
  H  H29  1  0.16932757  0.09750902  0.95888635  1
  H  H30  1  0.66974498  0.09744729  0.54171481  1
  H  H31  1  0.83060870  0.90248375  0.04050906  1
  C  C32  1  0.19356377  0.44872704  0.51092930  1
  C  C33  1  0.30517521  0.55068009  0.01028622  1
  C  C34  1  0.80524711  0.55076743  0.48940047  1
  C  C35  1  0.69356773  0.44775813  0.98932285  1
  C  C36  1  0.23804140  0.56304404  0.44376067  1
  C  C37  1  0.25995961  0.43601078  0.94343524  1
  C  C38  1  0.76070297  0.43626960  0.55635082  1
  C  C39  1  0.73839323  0.56264197  0.05611911  1
  C  C40  1  0.34946817  0.56529775  0.35789674  1
  C  C41  1  0.14880801  0.43347597  0.85742263  1
  C  C42  1  0.65012091  0.43396544  0.64267461  1
  C  C43  1  0.85009945  0.56550350  0.14186527  1
  C  C44  1  0.41351946  0.45380130  0.34346410  1
  C  C45  1  0.08515558  0.54510835  0.84265391  1
  C  C46  1  0.58586183  0.54529422  0.65741476  1
  C  C47  1  0.91434351  0.45414199  0.15649082  1
  C  C48  1  0.36006730  0.34059688  0.41333532  1
  C  C49  1  0.13887944  0.65872605  0.91188335  1
  C  C50  1  0.63894289  0.65865188  0.58798835  1
  C  C51  1  0.86066785  0.34072569  0.08677317  1
  C  C52  1  0.42122581  0.22166672  0.40441985  1
  C  C53  1  0.07652318  0.77713071  0.90283300  1
  C  C54  1  0.57644271  0.77697807  0.59716990  1
  C  C55  1  0.92250601  0.22159689  0.09581095  1
  C  C56  1  0.43499583  -0.00098506  0.45551029  1
  C  C57  1  0.06517256  1.00145668  0.95488121  1
  C  C58  1  0.56554535  1.00142151  0.54519335  1
  C  C59  1  0.93430114  -0.00139047  0.04471691  1
  N  N60  1  0.24750211  0.33628688  0.49541391  1
  N  N61  1  0.25386404  0.66440815  0.99288102  1
  N  N62  1  0.75382395  0.66436801  0.50692886  1
  N  N63  1  0.74769301  0.33568272  0.00528712  1
  N  N64  1  0.35529083  0.11230341  0.46212602  1
  N  N65  1  0.14226681  0.88643497  0.96022498  1
  N  N66  1  0.64203878  0.88616711  0.53976052  1
  N  N67  1  0.85605894  0.11260699  0.03888220  1
  N  N68  1  0.03093733  0.91952760  0.57783889  1
  N  N69  1  0.47553206  0.08433162  0.07129311  1
  N  N70  1  0.97719254  0.08598853  0.43121482  1
  N  N71  1  0.52852761  0.91989453  0.92330276  1
  N  N72  1  0.09485452  0.83562086  0.61674297  1
  N  N73  1  0.41682153  0.17157031  0.10906028  1
  N  N74  1  0.91694429  0.17119596  0.39149857  1
  N  N75  1  0.59659662  0.83863114  0.88507363  1
  N  N76  1  0.15643824  0.75263505  0.64839765  1
  N  N77  1  0.35136070  0.25014616  0.14521587  1
  N  N78  1  0.85094296  0.24838060  0.35405740  1
  N  N79  1  0.65701241  0.75489568  0.85267036  1
  N  N80  1  0.96673527  0.19820676  0.65417857  1
  N  N81  1  0.53078668  0.80238589  0.14894267  1
  N  N82  1  0.03231665  0.80266421  0.35166785  1
  N  N83  1  0.45965190  0.19373228  0.84433239  1
  N  N84  1  0.87606254  0.15752819  0.72899842  1
  N  N85  1  0.62083439  0.84161949  0.22400583  1
  N  N86  1  0.12089034  0.84165481  0.27601518  1
  N  N87  1  0.37304557  0.15622234  0.76824666  1
  N  N88  1  0.77885886  0.11508901  0.79909353  1
  N  N89  1  0.71798391  0.88250231  0.29449417  1
  N  N90  1  0.21635725  0.88236127  0.20471480  1
  N  N91  1  0.27976347  0.12603830  0.69397335  1
