# generated using pymatgen
data_Mn2FeCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11707506
_cell_length_b   10.13596432
_cell_length_c   12.55489029
_cell_angle_alpha   90.02669491
_cell_angle_beta   90.01125309
_cell_angle_gamma   106.44319083
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Co1 H28 C28 N32'
_cell_volume   990.69909881
_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  0.16222658  0.12346346  0.55655287  1
  Mn  Mn1  1  0.34171407  0.86597514  0.05590245  1
  Co  Co2  1  0.84186424  0.87043080  0.44173912  1
  Mn  Mn3  1  0.65980166  0.13241064  0.94624940  1
  H  H4  1  0.11287944  0.45019755  0.58018178  1
  H  H5  1  0.38419367  0.54906315  0.08091715  1
  H  H6  1  0.88560042  0.55012498  0.41842236  1
  H  H7  1  0.61436024  0.44961555  0.92019888  1
  H  H8  1  0.18592744  0.64875376  0.46118797  1
  H  H9  1  0.31107505  0.34947790  0.95999135  1
  H  H10  1  0.81318131  0.35104708  0.53845481  1
  H  H11  1  0.68729515  0.64970426  0.04065123  1
  H  H12  1  0.38760819  0.65337647  0.30449871  1
  H  H13  1  0.11084183  0.34586324  0.80385220  1
  H  H14  1  0.61349106  0.34730761  0.69515706  1
  H  H15  1  0.88975801  0.65490019  0.19597353  1
  H  H16  1  0.50117029  0.44881518  0.27897329  1
  H  H17  1  0.99884719  0.55078219  0.77789411  1
  H  H18  1  0.49989145  0.55185591  0.72126010  1
  H  H19  1  0.00250818  0.45038437  0.22208702  1
  H  H20  1  0.52655605  0.22956328  0.34721047  1
  H  H21  1  0.97392833  0.76857235  0.84522191  1
  H  H22  1  0.47387957  0.76919589  0.65292981  1
  H  H23  1  0.02761267  0.23240378  0.15539212  1
  H  H24  1  0.49847067  0.00468161  0.37692741  1
  H  H25  1  1.00200970  0.99740932  0.87800808  1
  H  H26  1  0.50413182  0.99738925  0.62226845  1
  H  H27  1  -0.00056057  0.00294675  0.12322445  1
  H  H28  1  0.33264592  0.90113422  0.45848235  1
  H  H29  1  0.17063483  0.09690481  0.95980371  1
  H  H30  1  0.67086809  0.09827148  0.53938588  1
  H  H31  1  0.83069849  0.90320136  0.04148423  1
  C  C32  1  0.19329783  0.44839704  0.51074813  1
  C  C33  1  0.30519362  0.55016281  0.01079747  1
  C  C34  1  0.80573613  0.55173738  0.48806658  1
  C  C35  1  0.69409764  0.44916713  0.99008043  1
  C  C36  1  0.23775607  0.56294429  0.44389398  1
  C  C37  1  0.26011222  0.43589122  0.94355363  1
  C  C38  1  0.76188990  0.43728747  0.55517987  1
  C  C39  1  0.73904338  0.56370746  0.05707751  1
  C  C40  1  0.34923814  0.56538311  0.35810136  1
  C  C41  1  0.14941986  0.43395277  0.85735041  1
  C  C42  1  0.65133538  0.43517944  0.64145360  1
  C  C43  1  0.85066786  0.56641337  0.14290209  1
  C  C44  1  0.41338857  0.45404647  0.34343361  1
  C  C45  1  0.08609140  0.54577030  0.84267330  1
  C  C46  1  0.58692719  0.54643367  0.65641318  1
  C  C47  1  0.91459953  0.45492578  0.15758433  1
  C  C48  1  0.35993525  0.34057971  0.41305297  1
  C  C49  1  0.13954343  0.65885099  0.91236159  1
  C  C50  1  0.63954170  0.65948306  0.58649375  1
  C  C51  1  0.86112407  0.34149564  0.08820682  1
  C  C52  1  0.42182806  0.22183514  0.40406088  1
  C  C53  1  0.07731891  0.77734836  0.90333756  1
  C  C54  1  0.57771493  0.77872593  0.59529730  1
  C  C55  1  0.92386434  0.22324207  0.09748246  1
  C  C56  1  0.43491265  -0.00172776  0.45494373  1
  C  C57  1  0.06600743  1.00116671  0.95572037  1
  C  C58  1  0.56696960  1.00221675  0.54407325  1
  C  C59  1  0.93534216  -0.00107818  0.04555069  1
  N  N60  1  0.24696002  0.33603362  0.49480154  1
  N  N61  1  0.25358901  0.66383091  0.99393508  1
  N  N62  1  0.75138351  0.66364120  0.50461621  1
  N  N63  1  0.74646627  0.33584330  0.00686982  1
  N  N64  1  0.35536721  0.11167216  0.46061319  1
  N  N65  1  0.14282248  0.88607134  0.96131359  1
  N  N66  1  0.64420139  0.88763672  0.53846549  1
  N  N67  1  0.85857217  0.11389008  0.04020103  1
  N  N68  1  0.02204531  0.91882227  0.57437942  1
  N  N69  1  0.46684966  0.08463028  0.07395345  1
  N  N70  1  0.98304439  0.08428727  0.42921689  1
  N  N71  1  0.53317867  0.91449338  0.92745000  1
  N  N72  1  0.08400651  0.83260445  0.61099864  1
  N  N73  1  0.40632720  0.16878139  0.11479248  1
  N  N74  1  0.91496323  0.16520266  0.39046681  1
  N  N75  1  0.59304714  0.83033114  0.88604045  1
  N  N76  1  0.15160444  0.75384102  0.64410127  1
  N  N77  1  0.34475003  0.25046972  0.14943433  1
  N  N78  1  0.84588532  0.24181149  0.35517758  1
  N  N79  1  0.65535120  0.74940604  0.85080565  1
  N  N80  1  0.96629367  0.19704102  0.64830621  1
  N  N81  1  0.53375716  0.80216398  0.15806402  1
  N  N82  1  0.03037194  0.80447089  0.35260578  1
  N  N83  1  0.45636565  0.19338671  0.84171796  1
  N  N84  1  0.87885753  0.15710672  0.72410589  1
  N  N85  1  0.62764645  0.84146605  0.23140448  1
  N  N86  1  0.11830156  0.84325749  0.27696938  1
  N  N87  1  0.37038709  0.15826500  0.76501129  1
  N  N88  1  0.78610119  0.12015991  0.79722472  1
  N  N89  1  0.72635420  0.88793271  0.30011903  1
  N  N90  1  0.21225570  0.87911342  0.20412580  1
  N  N91  1  0.27489142  0.12359027  0.69235020  1
