# generated using pymatgen
data_Mn2FeCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11585390
_cell_length_b   10.13626220
_cell_length_c   12.55196569
_cell_angle_alpha   90.03935053
_cell_angle_beta   89.99224454
_cell_angle_gamma   106.45132345
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Co1 H28 C28 N32'
_cell_volume   990.30684768
_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  0.15717726  0.13302654  0.55061029  1
  Co  Co1  1  0.34365347  0.87526140  0.06049947  1
  Fe  Fe2  1  0.83859628  0.87405903  0.44128628  1
  Mn  Mn3  1  0.65718984  0.13235815  0.94964664  1
  H  H4  1  0.11331628  0.44783948  0.58083367  1
  H  H5  1  0.38620284  0.55007943  0.08204822  1
  H  H6  1  0.88569544  0.54843559  0.41775136  1
  H  H7  1  0.61314834  0.44787560  0.91975735  1
  H  H8  1  0.18524878  0.64851377  0.46042562  1
  H  H9  1  0.31303193  0.35174205  0.96179131  1
  H  H10  1  0.81332012  0.35122720  0.53838751  1
  H  H11  1  0.68653796  0.64894027  0.03966959  1
  H  H12  1  0.38721172  0.65421019  0.30509512  1
  H  H13  1  0.11086746  0.34758348  0.80609719  1
  H  H14  1  0.61159413  0.34766630  0.69453494  1
  H  H15  1  0.88977874  0.65468266  0.19489302  1
  H  H16  1  0.50010220  0.44961974  0.27785401  1
  H  H17  1  1.00202831  0.55420244  0.77916729  1
  H  H18  1  0.50256002  0.55472216  0.72121242  1
  H  H19  1  0.00140348  0.44997674  0.22190515  1
  H  H20  1  0.52824189  0.23198321  0.34615657  1
  H  H21  1  0.97513314  0.76977646  0.84831121  1
  H  H22  1  0.47588530  0.77231017  0.65156829  1
  H  H23  1  0.02924136  0.23190700  0.15319620  1
  H  H24  1  0.49383772  0.00009285  0.37597787  1
  H  H25  1  1.00735763  0.99963703  0.87801821  1
  H  H26  1  0.50560474  0.99748931  0.62138753  1
  H  H27  1  -0.00600276  0.00026168  0.12345671  1
  H  H28  1  0.32881965  0.90160534  0.46064412  1
  H  H29  1  0.17154801  0.09956477  0.96353814  1
  H  H30  1  0.66945943  0.09995666  0.53811337  1
  H  H31  1  0.82951860  0.90152504  0.03841984  1
  C  C32  1  0.19197142  0.44771969  0.51039027  1
  C  C33  1  0.30648366  0.55257904  0.01246721  1
  C  C34  1  0.80638461  0.55124249  0.48760205  1
  C  C35  1  0.69227697  0.44775317  0.98995996  1
  C  C36  1  0.23680755  0.56239978  0.44372543  1
  C  C37  1  0.26197962  0.43807840  0.94522171  1
  C  C38  1  0.76175620  0.43731050  0.55512758  1
  C  C39  1  0.73784530  0.56273593  0.05642217  1
  C  C40  1  0.34826710  0.56532324  0.35772763  1
  C  C41  1  0.15105596  0.43603395  0.85917389  1
  C  C42  1  0.65118040  0.43592028  0.64135256  1
  C  C43  1  0.84991214  0.56590364  0.14210124  1
  C  C44  1  0.41245470  0.45399900  0.34258698  1
  C  C45  1  0.08843947  0.54813590  0.84419930  1
  C  C46  1  0.58861570  0.54808602  0.65611437  1
  C  C47  1  0.91370956  0.45439815  0.15720741  1
  C  C48  1  0.35929282  0.34031054  0.41163334  1
  C  C49  1  0.14180064  0.66107056  0.91440337  1
  C  C50  1  0.64179177  0.66072444  0.58576609  1
  C  C51  1  0.85994759  0.34047518  0.08833055  1
  C  C52  1  0.42274500  0.22234019  0.40289262  1
  C  C53  1  0.07983093  0.78021734  0.90546002  1
  C  C54  1  0.58026943  0.77958978  0.59459765  1
  C  C55  1  0.92321291  0.22245170  0.09688296  1
  C  C56  1  0.43307587  -0.00262107  0.45463371  1
  C  C57  1  0.06812467  1.00350636  0.95683667  1
  C  C58  1  0.56728679  1.00280249  0.54279761  1
  C  C59  1  0.93323606  -0.00245446  0.04482964  1
  N  N60  1  0.24372001  0.33423575  0.49232810  1
  N  N61  1  0.25307490  0.66489021  0.99655223  1
  N  N62  1  0.75408779  0.66447098  0.50354724  1
  N  N63  1  0.74412129  0.33433275  0.00778051  1
  N  N64  1  0.35619600  0.11254501  0.45949440  1
  N  N65  1  0.14620956  0.88954343  0.96189652  1
  N  N66  1  0.64690856  0.88929712  0.53745782  1
  N  N67  1  0.85610632  0.11247465  0.04045081  1
  N  N68  1  0.02172060  0.91406542  0.56906165  1
  N  N69  1  0.47106185  0.08010193  0.07884283  1
  N  N70  1  0.96906110  0.08037115  0.41928073  1
  N  N71  1  0.52223383  0.91586857  0.93045686  1
  N  N72  1  0.08270164  0.82912995  0.60875571  1
  N  N73  1  0.40206049  0.16062043  0.11736786  1
  N  N74  1  0.90218429  0.16261796  0.38081036  1
  N  N75  1  0.58190402  0.82927418  0.89254445  1
  N  N76  1  0.15010357  0.75242689  0.64535185  1
  N  N77  1  0.33727471  0.24216933  0.14879125  1
  N  N78  1  0.83880227  0.24487752  0.34974900  1
  N  N79  1  0.64835204  0.75159579  0.85592972  1
  N  N80  1  0.96693621  0.19414526  0.64692065  1
  N  N81  1  0.54399813  0.80713304  0.15517888  1
  N  N82  1  0.04041401  0.80488871  0.34379914  1
  N  N83  1  0.46768665  0.19416317  0.85273672  1
  N  N84  1  0.88151398  0.15782109  0.72434505  1
  N  N85  1  0.62760744  0.84234015  0.23272516  1
  N  N86  1  0.12636627  0.84275511  0.26690378  1
  N  N87  1  0.38138283  0.15709197  0.77578992  1
  N  N88  1  0.79106635  0.12168591  0.79842805  1
  N  N89  1  0.71803195  0.87097933  0.30847331  1
  N  N90  1  0.21948037  0.87652343  0.19381290  1
  N  N91  1  0.29057378  0.12141613  0.70175088  1
