# generated using pymatgen
data_CrNiH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26893454
_cell_length_b   14.08344081
_cell_length_c   16.08194417
_cell_angle_alpha   101.76892587
_cell_angle_beta   95.39917485
_cell_angle_gamma   90.00349573
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiH48Pd2(C19N3)4
_chemical_formula_sum   'Cr1 Ni1 H48 Pd2 C76 N12'
_cell_volume   1604.26170461
_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  0.50102182  0.99992016  0.50115446  1
  Ni  Ni1  1  0.49890403  0.49899899  0.48996128  1
  H  H2  1  0.55918230  0.98958466  0.68576360  1
  H  H3  1  0.44138776  0.01090835  0.31577151  1
  H  H4  1  0.56615629  0.09479954  0.82944469  1
  H  H5  1  0.43332143  0.90561898  0.17211579  1
  H  H6  1  0.48481842  0.33976981  0.70737656  1
  H  H7  1  0.51535436  0.66078449  0.29416391  1
  H  H8  1  0.48401502  0.22715104  0.56853122  1
  H  H9  1  0.51692087  0.77333781  0.43301710  1
  H  H10  1  0.77060612  0.52196039  0.36518550  1
  H  H11  1  0.23100277  0.47593060  0.63672309  1
  H  H12  1  0.78067924  0.49291941  0.20779494  1
  H  H13  1  0.22088749  0.50596596  0.79405261  1
  H  H14  1  0.20482368  0.40355010  0.18077634  1
  H  H15  1  0.79394641  0.59821770  0.82069196  1
  H  H16  1  0.21524683  0.44050191  0.33952485  1
  H  H17  1  0.78182944  0.56348363  0.66204670  1
  H  H18  1  0.47373351  0.20408856  0.32173945  1
  H  H19  1  0.52622082  0.79604138  0.67833230  1
  H  H20  1  0.19218641  0.11168055  0.25022595  1
  H  H21  1  0.80765795  0.88842825  0.74990003  1
  H  H22  1  0.16189124  0.05087952  0.09184852  1
  H  H23  1  0.83782229  0.94916261  0.90829483  1
  H  H24  1  0.41255750  0.08560512  0.00637084  1
  H  H25  1  0.58709122  0.91431771  0.99370095  1
  H  H26  1  0.78009716  0.27158367  0.31465831  1
  H  H27  1  0.21990893  0.72817845  0.68536316  1
  H  H28  1  0.03909589  0.29728330  0.23071647  1
  H  H29  1  0.96096488  0.70241756  0.76917748  1
  H  H30  1  0.00402258  0.24400311  0.07146110  1
  H  H31  1  0.99572956  0.75586981  0.92839736  1
  H  H32  1  0.71515990  0.15830876  0.99833025  1
  H  H33  1  0.28455921  0.84156959  0.00166853  1
  H  H34  1  0.11714971  0.15590171  0.95032719  1
  H  H35  1  0.88263774  0.84416410  0.04978879  1
  H  H36  1  0.16546860  0.98596329  0.87603359  1
  H  H37  1  0.83428831  0.01409748  0.12406712  1
  H  H38  1  0.12462081  0.94197387  0.71606035  1
  H  H39  1  0.87511604  0.05811241  0.28401994  1
  H  H40  1  0.03632202  0.06719341  0.63280699  1
  H  H41  1  0.96340425  0.93292332  0.36729600  1
  H  H42  1  0.96378459  0.23565772  0.62735111  1
  H  H43  1  0.03578486  0.76450898  0.37282947  1
  H  H44  1  0.91370760  0.40519672  0.70115860  1
  H  H45  1  0.08592154  0.59500150  0.29909163  1
  H  H46  1  0.94839073  0.44932948  0.86106906  1
  H  H47  1  0.05082024  0.55067548  0.13911444  1
  H  H48  1  0.03728661  0.32415619  0.94505187  1
  H  H49  1  0.96227936  0.67584255  0.05509518  1
  Pd  Pd50  1  0.99445960  0.24133010  0.46494495  1
  Pd  Pd51  1  0.00749959  0.75776574  0.53423072  1
  C  C52  1  0.54267849  0.06748812  0.69278015  1
  C  C53  1  0.45789718  0.93302247  0.30883629  1
  C  C54  1  0.54596475  0.12594365  0.77311644  1
  C  C55  1  0.45386623  0.87453203  0.22846242  1
  C  C56  1  0.52298777  0.22692073  0.78109991  1
  C  C57  1  0.47673460  0.77355936  0.22049676  1
  C  C58  1  0.50146670  0.26285807  0.70488730  1
  C  C59  1  0.49880886  0.73769241  0.29672473  1
  C  C60  1  0.50019108  0.19917617  0.62707233  1
  C  C61  1  0.50059678  0.80141770  0.37453578  1
  C  C62  1  0.52032760  0.28822192  0.86124704  1
  C  C63  1  0.47909166  0.71201178  0.14044831  1
  C  C64  1  0.51273953  0.33545948  0.93502262  1
  C  C65  1  0.48702493  0.66407820  0.06694861  1
  C  C66  1  0.79363357  0.14296956  0.45817305  1
  C  C67  1  0.20839658  0.85671100  0.54344032  1
  C  C68  1  0.19415480  0.34057435  0.47383856  1
  C  C69  1  0.80615185  0.65827712  0.51951853  1
  C  C70  1  0.80909585  0.34649990  0.47969368  1
  C  C71  1  0.19093772  0.65229362  0.51135194  1
  C  C72  1  0.18155960  0.13695285  0.45566221  1
  C  C73  1  0.82059281  0.86237091  0.54593593  1
  C  C74  1  0.64769620  0.49683033  0.32230209  1
  C  C75  1  0.35367940  0.50275545  0.67927678  1
  C  C76  1  0.65447133  0.47953421  0.23495981  1
  C  C77  1  0.34653501  0.51990073  0.76682862  1
  C  C78  1  0.49403337  0.44299830  0.18118639  1
  C  C79  1  0.50627696  0.55693165  0.82063345  1
  C  C80  1  0.33136124  0.43002683  0.22000776  1
  C  C81  1  0.66768431  0.57114630  0.78163324  1
  C  C82  1  0.33779280  0.45083332  0.30812354  1
  C  C83  1  0.65975055  0.55116597  0.69318811  1
  C  C84  1  0.49733659  0.41596738  0.09262373  1
  C  C85  1  0.50337627  0.58329228  0.90945443  1
  C  C86  1  0.50262234  0.38100533  0.01555275  1
  C  C87  1  0.49773507  0.61822116  0.98650167  1
  C  C88  1  0.45905776  0.17766316  0.25275347  1
  C  C89  1  0.54091330  0.82229737  0.74733113  1
  C  C90  1  0.30181947  0.12640504  0.21244126  1
  C  C91  1  0.69806808  0.87361326  0.78767946  1
  C  C92  1  0.28467433  0.09237661  0.12338863  1
  C  C93  1  0.71512911  0.90760659  0.87673118  1
  C  C94  1  0.42429940  0.11109844  0.07549809  1
  C  C95  1  0.57548374  0.88881675  0.92457873  1
  C  C96  1  0.60533332  0.19601800  0.20564806  1
  C  C97  1  0.39463524  0.80388705  0.79438973  1
  C  C98  1  0.76958991  0.24564263  0.24555189  1
  C  C99  1  0.23052579  0.75418053  0.75442968  1
  C  C100  1  0.91170142  0.26136024  0.19808795  1
  C  C101  1  0.08834016  0.73842179  0.80182436  1
  C  C102  1  0.89231890  0.23036501  0.10857786  1
  C  C103  1  0.10755433  0.76948283  0.89133383  1
  C  C104  1  0.73293761  0.18148123  0.06772760  1
  C  C105  1  0.26689382  0.81835431  0.93227390  1
  C  C106  1  0.58733382  0.16239131  0.11495481  1
  C  C107  1  0.41254010  0.83746372  0.88508025  1
  C  C108  1  0.04809410  0.20831697  0.83457074  1
  C  C109  1  0.95150997  0.79173464  0.16555767  1
  C  C110  1  0.09819642  0.13526808  0.88080598  1
  C  C111  1  0.90152216  0.86478586  0.11931152  1
  C  C112  1  0.12525751  0.04086749  0.83901898  1
  C  C113  1  0.87447661  0.95919615  0.16108428  1
  C  C114  1  0.10200983  0.01601313  0.74924010  1
  C  C115  1  0.89768905  0.98406922  0.25085351  1
  C  C116  1  0.05378247  0.08585831  0.70231894  1
  C  C117  1  0.94592243  0.91423973  0.29778782  1
  C  C118  1  0.02680844  0.18301013  0.74328381  1
  C  C119  1  0.97280238  0.81706922  0.25684843  1
  C  C120  1  0.97953944  0.25605009  0.69687795  1
  C  C121  1  0.01998483  0.74407346  0.30329184  1
  C  C122  1  0.95229033  0.35039423  0.73842160  1
  C  C123  1  0.04721898  0.64970857  0.26175467  1
  C  C124  1  0.97247368  0.37528872  0.82830768  1
  C  C125  1  0.02696908  0.62475489  0.17186036  1
  C  C126  1  0.02010649  0.30547029  0.87544484  1
  C  C127  1  0.97939767  0.69455912  0.12470264  1
  N  N128  1  0.51799397  0.10189020  0.61982044  1
  N  N129  1  0.48310009  0.89871339  0.38190725  1
  N  N130  1  0.68029334  0.08447270  0.46052758  1
  N  N131  1  0.32169015  0.91549182  0.54175270  1
  N  N132  1  0.31291898  0.39826828  0.47927851  1
  N  N133  1  0.68582326  0.60058834  0.50905154  1
  N  N134  1  0.69442973  0.40511555  0.48855383  1
  N  N135  1  0.30398505  0.59345162  0.49766152  1
  N  N136  1  0.49285988  0.48272565  0.35848127  1
  N  N137  1  0.50656016  0.51787673  0.64268984  1
  N  N138  1  0.29335602  0.07703588  0.45725643  1
  N  N139  1  0.70881923  0.92244430  0.54520040  1
