# generated using pymatgen
data_VNiH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26954875
_cell_length_b   14.08455559
_cell_length_c   16.08097356
_cell_angle_alpha   101.76940593
_cell_angle_beta   95.39849330
_cell_angle_gamma   90.00418418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiH48Pd2(C19N3)4
_chemical_formula_sum   'V1 Ni1 H48 Pd2 C76 N12'
_cell_volume   1604.42608237
_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
  Ni  Ni0  1  0.50081834  0.99997379  0.50110550  1
  V  V1  1  0.49918715  0.49956964  0.49467892  1
  H  H2  1  0.55939004  0.99006408  0.68484037  1
  H  H3  1  0.44137719  0.01046826  0.31672221  1
  H  H4  1  0.56618662  0.09482030  0.82925948  1
  H  H5  1  0.43328783  0.90563856  0.17232147  1
  H  H6  1  0.48464649  0.33977242  0.70745675  1
  H  H7  1  0.51556331  0.66078832  0.29411346  1
  H  H8  1  0.48424481  0.22613092  0.56874998  1
  H  H9  1  0.51663123  0.77442173  0.43288088  1
  H  H10  1  0.77369972  0.52233168  0.36498818  1
  H  H11  1  0.22718948  0.47532762  0.63693522  1
  H  H12  1  0.78053320  0.49299986  0.20812360  1
  H  H13  1  0.22156012  0.50563811  0.79236472  1
  H  H14  1  0.20500668  0.40383701  0.18124844  1
  H  H15  1  0.79334540  0.59756323  0.81880590  1
  H  H16  1  0.21167103  0.44025417  0.33894899  1
  H  H17  1  0.78598040  0.56386249  0.66275904  1
  H  H18  1  0.47425373  0.20355602  0.32172701  1
  H  H19  1  0.52565977  0.79656925  0.67832720  1
  H  H20  1  0.19239743  0.11165003  0.25043184  1
  H  H21  1  0.80743250  0.88844811  0.74967666  1
  H  H22  1  0.16192790  0.05083898  0.09166610  1
  H  H23  1  0.83776900  0.94919254  0.90846705  1
  H  H24  1  0.41292810  0.08585460  0.00642693  1
  H  H25  1  0.58669694  0.91405499  0.99363229  1
  H  H26  1  0.77956617  0.27156738  0.31461835  1
  H  H27  1  0.22061302  0.72812204  0.68537854  1
  H  H28  1  0.03893264  0.29738463  0.23073374  1
  H  H29  1  0.96114723  0.70229727  0.76911814  1
  H  H30  1  0.00368451  0.24411737  0.07130934  1
  H  H31  1  0.99605046  0.75573490  0.92851975  1
  H  H32  1  0.71427906  0.15850320  0.99833869  1
  H  H33  1  0.28542607  0.84137013  0.00164687  1
  H  H34  1  0.11709385  0.15623411  0.95018654  1
  H  H35  1  0.88269465  0.84383439  0.04992491  1
  H  H36  1  0.16553834  0.98609988  0.87615778  1
  H  H37  1  0.83421808  0.01396500  0.12393772  1
  H  H38  1  0.12479124  0.94203144  0.71572193  1
  H  H39  1  0.87494397  0.05806438  0.28435718  1
  H  H40  1  0.03615710  0.06713795  0.63269240  1
  H  H41  1  0.96355688  0.93298607  0.36740639  1
  H  H42  1  0.96399545  0.23530851  0.62731889  1
  H  H43  1  0.03552524  0.76488981  0.37286935  1
  H  H44  1  0.91396531  0.40523576  0.70129394  1
  H  H45  1  0.08568678  0.59495916  0.29892614  1
  H  H46  1  0.94857935  0.44927916  0.86114074  1
  H  H47  1  0.05060213  0.55072054  0.13904786  1
  H  H48  1  0.03767868  0.32390595  0.94504311  1
  H  H49  1  0.96187187  0.67609425  0.05508190  1
  Pd  Pd50  1  0.99428047  0.24071808  0.46487658  1
  Pd  Pd51  1  0.00754749  0.75839273  0.53417055  1
  C  C52  1  0.54235990  0.06789219  0.69232567  1
  C  C53  1  0.45824662  0.93264320  0.30932014  1
  C  C54  1  0.54554178  0.12609229  0.77301598  1
  C  C55  1  0.45428953  0.87439697  0.22857526  1
  C  C56  1  0.52280212  0.22700864  0.78124179  1
  C  C57  1  0.47691444  0.77346481  0.22031652  1
  C  C58  1  0.50145809  0.26292468  0.70517905  1
  C  C59  1  0.49882954  0.73763793  0.29642977  1
  C  C60  1  0.50042777  0.19866323  0.62742977  1
  C  C61  1  0.50039144  0.80191332  0.37420128  1
  C  C62  1  0.52044992  0.28833271  0.86158413  1
  C  C63  1  0.47899961  0.71184557  0.14000198  1
  C  C64  1  0.51291563  0.33551044  0.93540101  1
  C  C65  1  0.48683880  0.66393952  0.06643785  1
  C  C66  1  0.79334563  0.14174968  0.45739471  1
  C  C67  1  0.20866929  0.85793521  0.54436919  1
  C  C68  1  0.19451018  0.33948187  0.47403153  1
  C  C69  1  0.80581930  0.65942808  0.51991335  1
  C  C70  1  0.80817740  0.34525285  0.47924384  1
  C  C71  1  0.19181846  0.65364152  0.51195093  1
  C  C72  1  0.18083323  0.13582463  0.45470787  1
  C  C73  1  0.82138510  0.86345792  0.54700927  1
  C  C74  1  0.64919778  0.49727045  0.32300230  1
  C  C75  1  0.35262624  0.50238683  0.67757701  1
  C  C76  1  0.65462572  0.47958186  0.23565350  1
  C  C77  1  0.34718371  0.51977676  0.76511756  1
  C  C78  1  0.49429147  0.44287093  0.18172904  1
  C  C79  1  0.50603488  0.55704055  0.81974111  1
  C  C80  1  0.33161561  0.43002427  0.22068232  1
  C  C81  1  0.66668044  0.57084379  0.77983552  1
  C  C82  1  0.33626954  0.45071416  0.30868411  1
  C  C83  1  0.66058975  0.55122110  0.69162924  1
  C  C84  1  0.49728831  0.41623370  0.09309681  1
  C  C85  1  0.50332920  0.58304779  0.90869299  1
  C  C86  1  0.50252867  0.38108580  0.01595399  1
  C  C87  1  0.49780492  0.61806421  0.98590960  1
  C  C88  1  0.45917022  0.17742992  0.25271725  1
  C  C89  1  0.54078898  0.82251572  0.74735263  1
  C  C90  1  0.30184849  0.12629838  0.21249736  1
  C  C91  1  0.69803850  0.87369028  0.78760777  1
  C  C92  1  0.28454902  0.09240467  0.12336601  1
  C  C93  1  0.71524347  0.90756385  0.87673753  1
  C  C94  1  0.42420959  0.11116366  0.07554075  1
  C  C95  1  0.57555596  0.88874265  0.92452028  1
  C  C96  1  0.60544763  0.19584363  0.20564025  1
  C  C97  1  0.39448321  0.80404643  0.79437617  1
  C  C98  1  0.76967791  0.24553688  0.24551054  1
  C  C99  1  0.23039604  0.75425599  0.75443897  1
  C  C100  1  0.91171519  0.26131177  0.19804958  1
  C  C101  1  0.08832783  0.73846337  0.80183573  1
  C  C102  1  0.89219764  0.23036452  0.10850520  1
  C  C103  1  0.10765652  0.76947261  0.89138112  1
  C  C104  1  0.73287148  0.18141776  0.06772852  1
  C  C105  1  0.26691507  0.81840334  0.93225750  1
  C  C106  1  0.58740910  0.16226894  0.11499001  1
  C  C107  1  0.41243310  0.83757995  0.88503199  1
  C  C108  1  0.04812300  0.20826902  0.83448015  1
  C  C109  1  0.95147340  0.79178066  0.16563775  1
  C  C110  1  0.09825804  0.13521738  0.88070119  1
  C  C111  1  0.90144791  0.86483748  0.11941153  1
  C  C112  1  0.12534916  0.04085636  0.83895336  1
  C  C113  1  0.87437400  0.95920956  0.16114343  1
  C  C114  1  0.10203138  0.01598151  0.74911012  1
  C  C115  1  0.89766253  0.98411187  0.25097890  1
  C  C116  1  0.05380917  0.08580145  0.70220957  1
  C  C117  1  0.94590080  0.91430692  0.29789164  1
  C  C118  1  0.02677146  0.18296022  0.74320757  1
  C  C119  1  0.97283439  0.81712371  0.25691544  1
  C  C120  1  0.97943963  0.25606357  0.69684345  1
  C  C121  1  0.02008995  0.74407902  0.30332245  1
  C  C122  1  0.95230861  0.35035191  0.73846832  1
  C  C123  1  0.04719324  0.64976430  0.26168344  1
  C  C124  1  0.97266308  0.37523751  0.82838088  1
  C  C125  1  0.02675867  0.62481263  0.17177196  1
  C  C126  1  0.02027213  0.30540519  0.87544579  1
  C  C127  1  0.97923078  0.69462808  0.12467994  1
  N  N128  1  0.51799964  0.10222651  0.62010529  1
  N  N129  1  0.48302189  0.89835758  0.38159021  1
  N  N130  1  0.67935037  0.08433699  0.46084177  1
  N  N131  1  0.32263923  0.91555644  0.54140196  1
  N  N132  1  0.31438641  0.39755928  0.48007891  1
  N  N133  1  0.68474363  0.60138793  0.51042619  1
  N  N134  1  0.69509718  0.40526971  0.49001006  1
  N  N135  1  0.30378196  0.59341731  0.49813668  1
  N  N136  1  0.49273231  0.48286321  0.36025455  1
  N  N137  1  0.50613467  0.51814752  0.63933601  1
  N  N138  1  0.29394828  0.07696120  0.45698971  1
  N  N139  1  0.70836493  0.92254822  0.54563559  1
