# generated using pymatgen
data_CrFeH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26934594
_cell_length_b   14.08397908
_cell_length_c   16.08196660
_cell_angle_alpha   101.77239554
_cell_angle_beta   95.39776702
_cell_angle_gamma   90.00221894
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeH48Pd2(C19N3)4
_chemical_formula_sum   'Cr1 Fe1 H48 Pd2 C76 N12'
_cell_volume   1604.40023460
_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
  Cr  Cr0  1  0.50100527  0.99996094  0.50121404  1
  Fe  Fe1  1  0.49947572  0.49921325  0.49352588  1
  H  H2  1  0.55952864  0.98940700  0.68575550  1
  H  H3  1  0.44119999  0.01113354  0.31592125  1
  H  H4  1  0.56636127  0.09450010  0.82951879  1
  H  H5  1  0.43314443  0.90597521  0.17215875  1
  H  H6  1  0.48474589  0.33956965  0.70714301  1
  H  H7  1  0.51545262  0.66107644  0.29449917  1
  H  H8  1  0.48487806  0.22647256  0.56843511  1
  H  H9  1  0.51592290  0.77403810  0.43316057  1
  H  H10  1  0.77182229  0.52229938  0.36514761  1
  H  H11  1  0.22964610  0.47544191  0.63645104  1
  H  H12  1  0.78038822  0.49300205  0.20847126  1
  H  H13  1  0.22069522  0.50553027  0.79236349  1
  H  H14  1  0.20514436  0.40421161  0.18161142  1
  H  H15  1  0.79428509  0.59751150  0.81902252  1
  H  H16  1  0.21342956  0.44079755  0.33922927  1
  H  H17  1  0.78371572  0.56351355  0.66228318  1
  H  H18  1  0.47400246  0.20405073  0.32170658  1
  H  H19  1  0.52593339  0.79608474  0.67834668  1
  H  H20  1  0.19228431  0.11169261  0.25011595  1
  H  H21  1  0.80753520  0.88841849  0.75000482  1
  H  H22  1  0.16196024  0.05100115  0.09162016  1
  H  H23  1  0.83774428  0.94903063  0.90851115  1
  H  H24  1  0.41276241  0.08606652  0.00617893  1
  H  H25  1  0.58688644  0.91384093  0.99389616  1
  H  H26  1  0.77856509  0.27239766  0.31451297  1
  H  H27  1  0.22139493  0.72729986  0.68547682  1
  H  H28  1  0.03858176  0.29753138  0.23062210  1
  H  H29  1  0.96154101  0.70209941  0.76921124  1
  H  H30  1  0.00305159  0.24445643  0.07117340  1
  H  H31  1  0.99665655  0.75536234  0.92862895  1
  H  H32  1  0.71363595  0.15910060  0.99823817  1
  H  H33  1  0.28598925  0.84075895  0.00174033  1
  H  H34  1  0.11741393  0.15650394  0.95046008  1
  H  H35  1  0.88237269  0.84355144  0.04963632  1
  H  H36  1  0.16572629  0.98629271  0.87619834  1
  H  H37  1  0.83403187  0.01376221  0.12386818  1
  H  H38  1  0.12450564  0.94216193  0.71617985  1
  H  H39  1  0.87525860  0.05793896  0.28385472  1
  H  H40  1  0.03601635  0.06759557  0.63288805  1
  H  H41  1  0.96369244  0.93254213  0.36719949  1
  H  H42  1  0.96387648  0.23557243  0.62751756  1
  H  H43  1  0.03546971  0.76458362  0.37266448  1
  H  H44  1  0.91347978  0.40535782  0.70145635  1
  H  H45  1  0.08613543  0.59486164  0.29879321  1
  H  H46  1  0.94878859  0.44944436  0.86129231  1
  H  H47  1  0.05040435  0.55057095  0.13889141  1
  H  H48  1  0.03838683  0.32406669  0.94521505  1
  H  H49  1  0.96115896  0.67594037  0.05491720  1
  Pd  Pd50  1  0.99491335  0.24161634  0.46492564  1
  Pd  Pd51  1  0.00669134  0.75741974  0.53331689  1
  C  C52  1  0.54225464  0.06724487  0.69282341  1
  C  C53  1  0.45834508  0.93327536  0.30887242  1
  C  C54  1  0.54541388  0.12570255  0.77318873  1
  C  C55  1  0.45444866  0.87475852  0.22845215  1
  C  C56  1  0.52247928  0.22668493  0.78109359  1
  C  C57  1  0.47731156  0.77377488  0.22045623  1
  C  C58  1  0.50116841  0.26262136  0.70482827  1
  C  C59  1  0.49918292  0.73799256  0.29678459  1
  C  C60  1  0.50018359  0.19880999  0.62710522  1
  C  C61  1  0.50064695  0.80178597  0.37452610  1
  C  C62  1  0.52046440  0.28814154  0.86126840  1
  C  C63  1  0.47895598  0.71208201  0.14030626  1
  C  C64  1  0.51317359  0.33523770  0.93517382  1
  C  C65  1  0.48654414  0.66432260  0.06661883  1
  C  C66  1  0.79566270  0.14289689  0.45888059  1
  C  C67  1  0.20622868  0.85682419  0.54272887  1
  C  C68  1  0.19478263  0.34054876  0.47372754  1
  C  C69  1  0.80522059  0.65837696  0.51978620  1
  C  C70  1  0.80747120  0.34584753  0.47909852  1
  C  C71  1  0.19245841  0.65286608  0.51189957  1
  C  C72  1  0.18086999  0.13712364  0.45677915  1
  C  C73  1  0.82109039  0.86235938  0.54459014  1
  C  C74  1  0.64794609  0.49695752  0.32291952  1
  C  C75  1  0.35349639  0.50250980  0.67803639  1
  C  C76  1  0.65425135  0.47947533  0.23558543  1
  C  C77  1  0.34681913  0.51990631  0.76562644  1
  C  C78  1  0.49436906  0.44275944  0.18153545  1
  C  C79  1  0.50606235  0.55721925  0.81996646  1
  C  C80  1  0.33213114  0.43005465  0.22068537  1
  C  C81  1  0.66714777  0.57102582  0.78035139  1
  C  C82  1  0.33751831  0.45092896  0.30870198  1
  C  C83  1  0.65981198  0.55096623  0.69203371  1
  C  C84  1  0.49733092  0.41594960  0.09284378  1
  C  C85  1  0.50323784  0.58340441  0.90892191  1
  C  C86  1  0.50262796  0.38077058  0.01569622  1
  C  C87  1  0.49772067  0.61833026  0.98615439  1
  C  C88  1  0.45917846  0.17748586  0.25272438  1
  C  C89  1  0.54079141  0.82247261  0.74734828  1
  C  C90  1  0.30185070  0.12639593  0.21229799  1
  C  C91  1  0.69802096  0.87361808  0.78781825  1
  C  C92  1  0.28467583  0.09247772  0.12323075  1
  C  C93  1  0.71510205  0.90750150  0.87688783  1
  C  C94  1  0.42434693  0.11111675  0.07534861  1
  C  C95  1  0.57539223  0.88879923  0.92472384  1
  C  C96  1  0.60540748  0.19572188  0.20561403  1
  C  C97  1  0.39453142  0.80417402  0.79440314  1
  C  C98  1  0.76936711  0.24569673  0.24548772  1
  C  C99  1  0.23076859  0.75410747  0.75444599  1
  C  C100  1  0.91147016  0.26132784  0.19800697  1
  C  C101  1  0.08861443  0.73844110  0.80186246  1
  C  C102  1  0.89200009  0.23036266  0.10847769  1
  C  C103  1  0.10784189  0.76945515  0.89139299  1
  C  C104  1  0.73258558  0.18155118  0.06767031  1
  C  C105  1  0.26718526  0.81828010  0.93230676  1
  C  C106  1  0.58737998  0.16218187  0.11493361  1
  C  C107  1  0.41243960  0.83768443  0.88508776  1
  C  C108  1  0.04834309  0.20849440  0.83470711  1
  C  C109  1  0.95125630  0.79156478  0.16540955  1
  C  C110  1  0.09851363  0.13547798  0.88095317  1
  C  C111  1  0.90118240  0.86457360  0.11914418  1
  C  C112  1  0.12541749  0.04111936  0.83913180  1
  C  C113  1  0.87429457  0.95894178  0.16094346  1
  C  C114  1  0.10206520  0.01623879  0.74933856  1
  C  C115  1  0.89762198  0.98385253  0.25072772  1
  C  C116  1  0.05373959  0.08605922  0.70240695  1
  C  C117  1  0.94594466  0.91405637  0.29768383  1
  C  C118  1  0.02683547  0.18317824  0.74343759  1
  C  C119  1  0.97275371  0.81691644  0.25668283  1
  C  C120  1  0.97948886  0.25620915  0.69704109  1
  C  C121  1  0.01999326  0.74393151  0.30311986  1
  C  C122  1  0.95228876  0.35051338  0.73863812  1
  C  C123  1  0.04719635  0.64961132  0.26151504  1
  C  C124  1  0.97268790  0.37539200  0.82852416  1
  C  C125  1  0.02674627  0.62466677  0.17163063  1
  C  C126  1  0.02062259  0.30560763  0.87562290  1
  C  C127  1  0.97888480  0.69443411  0.12450808  1
  N  N128  1  0.51749831  0.10155271  0.61988126  1
  N  N129  1  0.48368855  0.89909096  0.38190815  1
  N  N130  1  0.68231538  0.08471615  0.46163625  1
  N  N131  1  0.31979377  0.91528160  0.54095520  1
  N  N132  1  0.31305059  0.39906640  0.48035855  1
  N  N133  1  0.68599839  0.59985980  0.51017994  1
  N  N134  1  0.69370010  0.40512279  0.48850938  1
  N  N135  1  0.30506972  0.59339796  0.49924039  1
  N  N136  1  0.49315360  0.48244530  0.36013362  1
  N  N137  1  0.50628408  0.51787613  0.64035247  1
  N  N138  1  0.29331038  0.07752682  0.45833583  1
  N  N139  1  0.70881990  0.92219040  0.54404505  1
