# generated using pymatgen
data_CoNiH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27016862
_cell_length_b   14.08568022
_cell_length_c   16.08363652
_cell_angle_alpha   101.76912662
_cell_angle_beta   95.39870330
_cell_angle_gamma   90.00275512
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiH48Pd2(C19N3)4
_chemical_formula_sum   'Co1 Ni1 H48 Pd2 C76 N12'
_cell_volume   1604.95862082
_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  0.50045650  1.00014825  0.50102748  1
  Ni  Ni1  1  0.49910248  0.49902578  0.49098339  1
  H  H2  1  0.55938357  0.98998307  0.68447469  1
  H  H3  1  0.44134106  0.01059175  0.31714793  1
  H  H4  1  0.56635786  0.09470429  0.82934158  1
  H  H5  1  0.43311885  0.90582125  0.17230271  1
  H  H6  1  0.48483022  0.33978891  0.70736687  1
  H  H7  1  0.51542518  0.66082654  0.29421591  1
  H  H8  1  0.48497030  0.22675219  0.56865122  1
  H  H9  1  0.51604637  0.77379191  0.43299817  1
  H  H10  1  0.77055166  0.52159807  0.36441284  1
  H  H11  1  0.23059978  0.47585623  0.63694064  1
  H  H12  1  0.78021092  0.49257315  0.20703646  1
  H  H13  1  0.22091280  0.50589642  0.79378676  1
  H  H14  1  0.20509699  0.40385959  0.17998422  1
  H  H15  1  0.79412475  0.59775214  0.82048691  1
  H  H16  1  0.21497780  0.44085862  0.33871238  1
  H  H17  1  0.78252118  0.56350850  0.66244369  1
  H  H18  1  0.47440059  0.20408786  0.32165130  1
  H  H19  1  0.52547433  0.79610133  0.67839452  1
  H  H20  1  0.19250611  0.11176389  0.25042549  1
  H  H21  1  0.80729475  0.88835262  0.74967815  1
  H  H22  1  0.16211833  0.05089881  0.09147311  1
  H  H23  1  0.83759913  0.94913253  0.90865782  1
  H  H24  1  0.41349304  0.08627956  0.00634988  1
  H  H25  1  0.58617096  0.91363167  0.99372985  1
  H  H26  1  0.77787907  0.27236264  0.31448564  1
  H  H27  1  0.22221840  0.72741776  0.68552701  1
  H  H28  1  0.03868555  0.29755899  0.23069675  1
  H  H29  1  0.96147000  0.70210274  0.76915875  1
  H  H30  1  0.00299294  0.24443577  0.07114148  1
  H  H31  1  0.99672490  0.75538432  0.92867802  1
  H  H32  1  0.71277917  0.15896227  0.99835075  1
  H  H33  1  0.28688581  0.84090363  0.00164880  1
  H  H34  1  0.11718593  0.15680346  0.95025938  1
  H  H35  1  0.88260973  0.84325132  0.04984591  1
  H  H36  1  0.16571448  0.98634731  0.87636478  1
  H  H37  1  0.83405319  0.01370887  0.12371085  1
  H  H38  1  0.12462326  0.94221900  0.71566526  1
  H  H39  1  0.87513204  0.05787789  0.28437696  1
  H  H40  1  0.03596612  0.06756958  0.63288162  1
  H  H41  1  0.96372279  0.93257490  0.36721034  1
  H  H42  1  0.96423737  0.23516894  0.62743805  1
  H  H43  1  0.03521234  0.76502720  0.37277206  1
  H  H44  1  0.91349483  0.40532091  0.70134314  1
  H  H45  1  0.08620663  0.59489016  0.29889287  1
  H  H46  1  0.94861962  0.44936297  0.86121698  1
  H  H47  1  0.05058914  0.55064401  0.13898005  1
  H  H48  1  0.03846140  0.32369649  0.94512371  1
  H  H49  1  0.96108804  0.67629690  0.05501914  1
  Pd  Pd50  1  0.99343883  0.24000701  0.46444202  1
  Pd  Pd51  1  0.00872666  0.75894941  0.53472733  1
  C  C52  1  0.54209997  0.06780499  0.69252075  1
  C  C53  1  0.45851177  0.93275419  0.30914471  1
  C  C54  1  0.54510663  0.12593670  0.77310200  1
  C  C55  1  0.45472808  0.87458244  0.22852640  1
  C  C56  1  0.52245619  0.22678524  0.78100606  1
  C  C57  1  0.47728314  0.77368270  0.22053376  1
  C  C58  1  0.50130620  0.26292803  0.70501487  1
  C  C59  1  0.49907349  0.73767485  0.29660611  1
  C  C60  1  0.50042267  0.19906010  0.62725724  1
  C  C61  1  0.50044588  0.80156331  0.37441764  1
  C  C62  1  0.52070812  0.28827272  0.86111745  1
  C  C63  1  0.47872403  0.71192585  0.14042833  1
  C  C64  1  0.51337040  0.33514548  0.93495426  1
  C  C65  1  0.48636347  0.66426129  0.06686288  1
  C  C66  1  0.79188575  0.14144677  0.45756801  1
  C  C67  1  0.21012795  0.85818727  0.54420474  1
  C  C68  1  0.19311786  0.33964863  0.47393106  1
  C  C69  1  0.80710520  0.65929443  0.52001890  1
  C  C70  1  0.80880493  0.34567913  0.47979882  1
  C  C71  1  0.19109255  0.65308750  0.51154374  1
  C  C72  1  0.18146818  0.13562399  0.45521376  1
  C  C73  1  0.82094495  0.86345678  0.54627218  1
  C  C74  1  0.64716670  0.49696435  0.32180027  1
  C  C75  1  0.35376289  0.50260439  0.67922217  1
  C  C76  1  0.65427769  0.47933992  0.23444708  1
  C  C77  1  0.34656154  0.52007713  0.76675007  1
  C  C78  1  0.49407902  0.44280972  0.18076868  1
  C  C79  1  0.50602514  0.55722927  0.82067325  1
  C  C80  1  0.33155077  0.42979949  0.21949039  1
  C  C81  1  0.66741473  0.57127744  0.78162194  1
  C  C82  1  0.33789899  0.45105654  0.30758865  1
  C  C83  1  0.65989245  0.55103437  0.69320985  1
  C  C84  1  0.49732187  0.41597812  0.09228846  1
  C  C85  1  0.50328969  0.58321905  0.90949861  1
  C  C86  1  0.50237845  0.38113557  0.01523362  1
  C  C87  1  0.49798575  0.61807017  0.98657865  1
  C  C88  1  0.45920862  0.17750309  0.25272838  1
  C  C89  1  0.54074437  0.82245229  0.74734756  1
  C  C90  1  0.30188989  0.12641553  0.21247699  1
  C  C91  1  0.69798749  0.87358281  0.78763333  1
  C  C92  1  0.28454794  0.09252950  0.12332688  1
  C  C93  1  0.71524566  0.90744685  0.87678481  1
  C  C94  1  0.42423604  0.11122524  0.07550818  1
  C  C95  1  0.57552943  0.88869588  0.92457230  1
  C  C96  1  0.60559233  0.19568344  0.20566730  1
  C  C97  1  0.39434373  0.80423890  0.79436910  1
  C  C98  1  0.76947916  0.24564354  0.24551912  1
  C  C99  1  0.23056967  0.75419933  0.75445178  1
  C  C100  1  0.91161032  0.26131187  0.19806003  1
  C  C101  1  0.08845143  0.73847112  0.80184008  1
  C  C102  1  0.89203631  0.23036312  0.10850665  1
  C  C103  1  0.10782256  0.76946441  0.89139074  1
  C  C104  1  0.73274431  0.18143007  0.06775306  1
  C  C105  1  0.26703803  0.81839618  0.93224452  1
  C  C106  1  0.58750119  0.16213018  0.11504694  1
  C  C107  1  0.41234199  0.83774034  0.88499185  1
  C  C108  1  0.04823303  0.20842406  0.83456258  1
  C  C109  1  0.95136387  0.79162742  0.16556324  1
  C  C110  1  0.09838473  0.13542288  0.88078948  1
  C  C111  1  0.90130433  0.86462210  0.11931773  1
  C  C112  1  0.12548783  0.04101774  0.83907760  1
  C  C113  1  0.87421968  0.95903916  0.16100389  1
  C  C114  1  0.10210651  0.01612932  0.74922187  1
  C  C115  1  0.89757841  0.98395788  0.25084979  1
  C  C116  1  0.05386413  0.08601359  0.70238757  1
  C  C117  1  0.94583767  0.91409992  0.29770526  1
  C  C118  1  0.02683001  0.18315349  0.74334968  1
  C  C119  1  0.97276825  0.81693371  0.25678116  1
  C  C120  1  0.97945310  0.25618828  0.69693254  1
  C  C121  1  0.02003492  0.74396010  0.30325212  1
  C  C122  1  0.95211542  0.35046049  0.73852108  1
  C  C123  1  0.04745991  0.64967487  0.26165556  1
  C  C124  1  0.97270461  0.37532134  0.82843672  1
  C  C125  1  0.02679468  0.62474172  0.17173169  1
  C  C126  1  0.02051872  0.30555437  0.87552929  1
  C  C127  1  0.97900676  0.69447997  0.12461339  1
  N  N128  1  0.51775909  0.10248973  0.62031484  1
  N  N129  1  0.48318101  0.89810111  0.38139747  1
  N  N130  1  0.67816225  0.08363069  0.46081993  1
  N  N131  1  0.32367886  0.91633939  0.54150672  1
  N  N132  1  0.31132439  0.39783194  0.48014176  1
  N  N133  1  0.68743484  0.60132268  0.51037016  1
  N  N134  1  0.69591627  0.40508407  0.49024594  1
  N  N135  1  0.30278868  0.59346938  0.49803016  1
  N  N136  1  0.49254778  0.48319089  0.35820103  1
  N  N137  1  0.50688700  0.51748887  0.64262406  1
  N  N138  1  0.29477365  0.07659145  0.45702028  1
  N  N139  1  0.70802955  0.92287128  0.54596928  1
