# generated using pymatgen
data_FeCoH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26898510
_cell_length_b   14.08362997
_cell_length_c   16.08132507
_cell_angle_alpha   101.76930321
_cell_angle_beta   95.39855826
_cell_angle_gamma   90.00428904
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoH48Pd2(C19N3)4
_chemical_formula_sum   'Fe1 Co1 H48 Pd2 C76 N12'
_cell_volume   1604.23167967
_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  0.50048691  1.00007980  0.50095240  1
  Fe  Fe1  1  0.49891599  0.49915759  0.49158892  1
  H  H2  1  0.55913143  0.99013452  0.68477964  1
  H  H3  1  0.44157552  0.01044229  0.31678837  1
  H  H4  1  0.56615618  0.09484384  0.82954279  1
  H  H5  1  0.43331093  0.90561313  0.17202103  1
  H  H6  1  0.48469321  0.34006300  0.70760781  1
  H  H7  1  0.51545099  0.66050840  0.29394012  1
  H  H8  1  0.48424061  0.22638242  0.56863191  1
  H  H9  1  0.51666478  0.77416469  0.43298262  1
  H  H10  1  0.77212034  0.52243572  0.36533348  1
  H  H11  1  0.22937321  0.47560376  0.63687070  1
  H  H12  1  0.78030001  0.49307043  0.20852201  1
  H  H13  1  0.22107558  0.50572811  0.79298880  1
  H  H14  1  0.20526377  0.40391858  0.18173471  1
  H  H15  1  0.79377957  0.59787240  0.81954246  1
  H  H16  1  0.21366591  0.44035056  0.33944926  1
  H  H17  1  0.78360760  0.56370813  0.66233030  1
  H  H18  1  0.47392806  0.20385776  0.32182069  1
  H  H19  1  0.52600328  0.79628617  0.67823366  1
  H  H20  1  0.19222330  0.11166094  0.25027497  1
  H  H21  1  0.80759736  0.88844926  0.74983508  1
  H  H22  1  0.16193028  0.05089972  0.09182024  1
  H  H23  1  0.83778311  0.94914008  0.90831725  1
  H  H24  1  0.41259175  0.08568929  0.00631742  1
  H  H25  1  0.58705645  0.91423054  0.99375314  1
  H  H26  1  0.77994202  0.27164632  0.31466585  1
  H  H27  1  0.22002969  0.72808559  0.68533204  1
  H  H28  1  0.03902741  0.29731955  0.23071553  1
  H  H29  1  0.96104599  0.70235803  0.76915671  1
  H  H30  1  0.00383188  0.24407521  0.07138638  1
  H  H31  1  0.99590190  0.75578296  0.92845382  1
  H  H32  1  0.71486386  0.15845048  0.99831336  1
  H  H33  1  0.28483907  0.84142207  0.00167177  1
  H  H34  1  0.11719877  0.15600179  0.95034088  1
  H  H35  1  0.88258933  0.84406165  0.04977143  1
  H  H36  1  0.16551031  0.98601513  0.87601203  1
  H  H37  1  0.83424522  0.01404772  0.12408440  1
  H  H38  1  0.12476470  0.94200505  0.71593510  1
  H  H39  1  0.87497615  0.05808335  0.28412924  1
  H  H40  1  0.03624251  0.06707277  0.63270396  1
  H  H41  1  0.96347488  0.93304670  0.36740150  1
  H  H42  1  0.96383883  0.23562671  0.62730468  1
  H  H43  1  0.03565809  0.76453560  0.37287443  1
  H  H44  1  0.91369145  0.40522421  0.70121286  1
  H  H45  1  0.08589601  0.59499053  0.29903989  1
  H  H46  1  0.94851250  0.44932055  0.86111246  1
  H  H47  1  0.05067587  0.55068906  0.13906466  1
  H  H48  1  0.03749904  0.32410082  0.94508456  1
  H  H49  1  0.96206081  0.67590202  0.05505527  1
  Pd  Pd50  1  0.99456000  0.24402108  0.46529971  1
  Pd  Pd51  1  0.00727076  0.75503707  0.53349432  1
  C  C52  1  0.54248207  0.06800983  0.69272038  1
  C  C53  1  0.45808439  0.93256249  0.30888338  1
  C  C54  1  0.54582653  0.12617708  0.77333078  1
  C  C55  1  0.45399552  0.87433963  0.22826113  1
  C  C56  1  0.52292132  0.22708425  0.78133313  1
  C  C57  1  0.47680725  0.77342846  0.22029815  1
  C  C58  1  0.50142219  0.26317988  0.70524897  1
  C  C59  1  0.49887232  0.73738994  0.29638594  1
  C  C60  1  0.50035085  0.19917172  0.62747418  1
  C  C61  1  0.50044689  0.80143482  0.37417050  1
  C  C62  1  0.52037385  0.28835255  0.86163490  1
  C  C63  1  0.47903086  0.71190112  0.14009078  1
  C  C64  1  0.51280046  0.33560082  0.93540561  1
  C  C65  1  0.48695148  0.66392340  0.06660150  1
  C  C66  1  0.79535365  0.14438879  0.45796553  1
  C  C67  1  0.20658501  0.85534212  0.54373572  1
  C  C68  1  0.19659778  0.34199621  0.47396647  1
  C  C69  1  0.80360246  0.65682592  0.51905103  1
  C  C70  1  0.80636727  0.34779714  0.47960240  1
  C  C71  1  0.19356392  0.65105122  0.51113714  1
  C  C72  1  0.17932169  0.13831304  0.45505420  1
  C  C73  1  0.82289163  0.86092452  0.54660337  1
  C  C74  1  0.64827725  0.49698079  0.32310335  1
  C  C75  1  0.35351666  0.50260215  0.67833297  1
  C  C76  1  0.65430150  0.47959955  0.23579675  1
  C  C77  1  0.34688151  0.51982494  0.76591038  1
  C  C78  1  0.49423400  0.44296781  0.18174727  1
  C  C79  1  0.50614221  0.55694563  0.82016292  1
  C  C80  1  0.33196263  0.43017086  0.22089125  1
  C  C81  1  0.66719201  0.57095822  0.78068344  1
  C  C82  1  0.33749677  0.45078082  0.30888827  1
  C  C83  1  0.65991108  0.55111172  0.69231527  1
  C  C84  1  0.49731436  0.41615511  0.09311602  1
  C  C85  1  0.50332994  0.58319006  0.90899664  1
  C  C86  1  0.50260466  0.38107465  0.01599366  1
  C  C87  1  0.49774347  0.61810517  0.98611460  1
  C  C88  1  0.45908633  0.17759211  0.25280991  1
  C  C89  1  0.54088288  0.82235808  0.74726413  1
  C  C90  1  0.30186355  0.12639539  0.21248148  1
  C  C91  1  0.69801298  0.87361470  0.78763118  1
  C  C92  1  0.28469108  0.09241055  0.12338970  1
  C  C93  1  0.71510916  0.90756782  0.87672397  1
  C  C94  1  0.42428625  0.11108251  0.07546013  1
  C  C95  1  0.57548744  0.88883207  0.92461194  1
  C  C96  1  0.60536677  0.19592601  0.20566182  1
  C  C97  1  0.39460715  0.80396808  0.79436666  1
  C  C98  1  0.76957933  0.24561090  0.24555983  1
  C  C99  1  0.23056139  0.75419663  0.75439966  1
  C  C100  1  0.91165836  0.26134548  0.19808452  1
  C  C101  1  0.08839001  0.73842608  0.80180754  1
  C  C102  1  0.89225334  0.23035718  0.10855298  1
  C  C103  1  0.10759802  0.76948101  0.89133948  1
  C  C104  1  0.73287749  0.18150278  0.06771532  1
  C  C105  1  0.26692651  0.81833022  0.93227106  1
  C  C106  1  0.58731303  0.16235205  0.11496315  1
  C  C107  1  0.41254073  0.83750561  0.88506421  1
  C  C108  1  0.04813927  0.20830976  0.83454190  1
  C  C109  1  0.95146286  0.79174646  0.16558315  1
  C  C110  1  0.09825154  0.13528771  0.88081535  1
  C  C111  1  0.90146086  0.86476807  0.11929788  1
  C  C112  1  0.12525612  0.04090221  0.83898684  1
  C  C113  1  0.87447429  0.95916383  0.16111235  1
  C  C114  1  0.10202637  0.01602582  0.74916324  1
  C  C115  1  0.89767212  0.98405890  0.25092741  1
  C  C116  1  0.05382790  0.08581200  0.70222564  1
  C  C117  1  0.94588000  0.91429069  0.29788364  1
  C  C118  1  0.02679736  0.18297294  0.74323525  1
  C  C119  1  0.97280026  0.81711299  0.25689398  1
  C  C120  1  0.97951001  0.25603662  0.69684576  1
  C  C121  1  0.01998102  0.74409182  0.30331686  1
  C  C122  1  0.95233575  0.35037249  0.73842060  1
  C  C123  1  0.04713063  0.64973667  0.26173711  1
  C  C124  1  0.97252411  0.37526766  0.82834046  1
  C  C125  1  0.02688869  0.62477959  0.17181882  1
  C  C126  1  0.02021880  0.30546694  0.87545853  1
  C  C127  1  0.97927904  0.69457077  0.12468059  1
  N  N128  1  0.51814132  0.10268432  0.62053455  1
  N  N129  1  0.48283959  0.89791398  0.38111147  1
  N  N130  1  0.68196083  0.08568870  0.45943563  1
  N  N131  1  0.32000268  0.91422896  0.54277063  1
  N  N132  1  0.31583423  0.39979542  0.47955127  1
  N  N133  1  0.68314081  0.59890316  0.50895103  1
  N  N134  1  0.69089529  0.40623250  0.48777449  1
  N  N135  1  0.30743068  0.59229398  0.49804236  1
  N  N136  1  0.49333169  0.48222228  0.36026567  1
  N  N137  1  0.50636511  0.51801856  0.64065639  1
  N  N138  1  0.29059750  0.07816412  0.45611521  1
  N  N139  1  0.71184803  0.92133410  0.54673311  1
