# generated using pymatgen
data_VNiH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26930137
_cell_length_b   14.08408641
_cell_length_c   16.08232970
_cell_angle_alpha   101.76984180
_cell_angle_beta   95.39881081
_cell_angle_gamma   90.00388500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiH48Pd2(C19N3)4
_chemical_formula_sum   'V1 Ni1 H48 Pd2 C76 N12'
_cell_volume   1604.45006161
_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
  V  V0  1  0.50049921  1.00029002  0.50096144  1
  Ni  Ni1  1  0.49894384  0.49900707  0.49037880  1
  H  H2  1  0.55910878  0.98916359  0.68525199  1
  H  H3  1  0.44163484  0.01137850  0.31639385  1
  H  H4  1  0.56625564  0.09474056  0.82928861  1
  H  H5  1  0.43321954  0.90570726  0.17230160  1
  H  H6  1  0.48482903  0.33964042  0.70723054  1
  H  H7  1  0.51536021  0.66092759  0.29431681  1
  H  H8  1  0.48412135  0.22721919  0.56832152  1
  H  H9  1  0.51674703  0.77318418  0.43324552  1
  H  H10  1  0.77068739  0.52183444  0.36496773  1
  H  H11  1  0.23074033  0.47591753  0.63684371  1
  H  H12  1  0.78070492  0.49281970  0.20748958  1
  H  H13  1  0.22098097  0.50595438  0.79397159  1
  H  H14  1  0.20473018  0.40361638  0.18043757  1
  H  H15  1  0.79392653  0.59804166  0.82060950  1
  H  H16  1  0.21502003  0.44061672  0.33928362  1
  H  H17  1  0.78217630  0.56351069  0.66223612  1
  H  H18  1  0.47397363  0.20422962  0.32163098  1
  H  H19  1  0.52595721  0.79590306  0.67843697  1
  H  H20  1  0.19222585  0.11174257  0.25029281  1
  H  H21  1  0.80762328  0.88836329  0.74983670  1
  H  H22  1  0.16194705  0.05084831  0.09165847  1
  H  H23  1  0.83775980  0.94918993  0.90848460  1
  H  H24  1  0.41295786  0.08585164  0.00641782  1
  H  H25  1  0.58669104  0.91406648  0.99365656  1
  H  H26  1  0.77913595  0.27181240  0.31456976  1
  H  H27  1  0.22092681  0.72796893  0.68544592  1
  H  H28  1  0.03898138  0.29738646  0.23073245  1
  H  H29  1  0.96110961  0.70230027  0.76914650  1
  H  H30  1  0.00370824  0.24413784  0.07134566  1
  H  H31  1  0.99603619  0.75571726  0.92849715  1
  H  H32  1  0.71429506  0.15850872  0.99835341  1
  H  H33  1  0.28542400  0.84137135  0.00164931  1
  H  H34  1  0.11712075  0.15624504  0.95027070  1
  H  H35  1  0.88266917  0.84382469  0.04984700  1
  H  H36  1  0.16556946  0.98610391  0.87622257  1
  H  H37  1  0.83419248  0.01395884  0.12387464  1
  H  H38  1  0.12440967  0.94201280  0.71594552  1
  H  H39  1  0.87532413  0.05807799  0.28415441  1
  H  H40  1  0.03622222  0.06745868  0.63286629  1
  H  H41  1  0.96351865  0.93266966  0.36723391  1
  H  H42  1  0.96395265  0.23540030  0.62740145  1
  H  H43  1  0.03552039  0.76475319  0.37278152  1
  H  H44  1  0.91365792  0.40525040  0.70123517  1
  H  H45  1  0.08598595  0.59495361  0.29901243  1
  H  H46  1  0.94845733  0.44935340  0.86113050  1
  H  H47  1  0.05074599  0.55065115  0.13905637  1
  H  H48  1  0.03766814  0.32397397  0.94506777  1
  H  H49  1  0.96189195  0.67602291  0.05507615  1
  Pd  Pd50  1  0.99377421  0.24057898  0.46482792  1
  Pd  Pd51  1  0.00822249  0.75848826  0.53424203  1
  C  C52  1  0.54254254  0.06712234  0.69259205  1
  C  C53  1  0.45809774  0.93340583  0.30906411  1
  C  C54  1  0.54568293  0.12572525  0.77287396  1
  C  C55  1  0.45415019  0.87479637  0.22874518  1
  C  C56  1  0.52278190  0.22672680  0.78092885  1
  C  C57  1  0.47694655  0.77377189  0.22067692  1
  C  C58  1  0.50143649  0.26273432  0.70472681  1
  C  C59  1  0.49887618  0.73783056  0.29687849  1
  C  C60  1  0.50010785  0.19934261  0.62691964  1
  C  C61  1  0.50071879  0.80121583  0.37472511  1
  C  C62  1  0.52043921  0.28817830  0.86108919  1
  C  C63  1  0.47897263  0.71208678  0.14057878  1
  C  C64  1  0.51295154  0.33529045  0.93493411  1
  C  C65  1  0.48679583  0.66422101  0.06701819  1
  C  C66  1  0.79237812  0.14245027  0.45835027  1
  C  C67  1  0.20970504  0.85723592  0.54330801  1
  C  C68  1  0.19311999  0.34032646  0.47385962  1
  C  C69  1  0.80704867  0.65857664  0.51965767  1
  C  C70  1  0.80921432  0.34633473  0.47958798  1
  C  C71  1  0.19079011  0.65242733  0.51150635  1
  C  C72  1  0.18179131  0.13674933  0.45583593  1
  C  C73  1  0.82048425  0.86244489  0.54567502  1
  C  C74  1  0.64757219  0.49690384  0.32211402  1
  C  C75  1  0.35372614  0.50270126  0.67923819  1
  C  C76  1  0.65450455  0.47946552  0.23473340  1
  C  C77  1  0.34663218  0.51996791  0.76680768  1
  C  C78  1  0.49407272  0.44287962  0.18100431  1
  C  C79  1  0.50618390  0.55707044  0.82069394  1
  C  C80  1  0.33133930  0.42990035  0.21977453  1
  C  C81  1  0.66752104  0.57118802  0.78162346  1
  C  C82  1  0.33775557  0.45086216  0.30793210  1
  C  C83  1  0.65977707  0.55114099  0.69317676  1
  C  C84  1  0.49733861  0.41596314  0.09245911  1
  C  C85  1  0.50332977  0.58329316  0.90954273  1
  C  C86  1  0.50253941  0.38097728  0.01538059  1
  C  C87  1  0.49782792  0.61823515  0.98662752  1
  C  C88  1  0.45910360  0.17758551  0.25268879  1
  C  C89  1  0.54086770  0.82236414  0.74739680  1
  C  C90  1  0.30179701  0.12641782  0.21243542  1
  C  C91  1  0.69808847  0.87358973  0.78768173  1
  C  C92  1  0.28457645  0.09242328  0.12333681  1
  C  C93  1  0.71522088  0.90755813  0.87677890  1
  C  C94  1  0.42425858  0.11117153  0.07552302  1
  C  C95  1  0.57552038  0.88874671  0.92455339  1
  C  C96  1  0.60544923  0.19590494  0.20562671  1
  C  C97  1  0.39449935  0.80400659  0.79440977  1
  C  C98  1  0.76962033  0.24562867  0.24552059  1
  C  C99  1  0.23044244  0.75419570  0.75445987  1
  C  C100  1  0.91171874  0.26133714  0.19807818  1
  C  C101  1  0.08833688  0.73844544  0.80183366  1
  C  C102  1  0.89222357  0.23036989  0.10853831  1
  C  C103  1  0.10765048  0.76947388  0.89136784  1
  C  C104  1  0.73290719  0.18142659  0.06773984  1
  C  C105  1  0.26689143  0.81840147  0.93226527  1
  C  C106  1  0.58743538  0.16228741  0.11498702  1
  C  C107  1  0.41242355  0.83757154  0.88505096  1
  C  C108  1  0.04811427  0.20836183  0.83458710  1
  C  C109  1  0.95148572  0.79168797  0.16554201  1
  C  C110  1  0.09823651  0.13528784  0.88079415  1
  C  C111  1  0.90147762  0.86476058  0.11932590  1
  C  C112  1  0.12535268  0.04090649  0.83906914  1
  C  C113  1  0.87437215  0.95915851  0.16102897  1
  C  C114  1  0.10198565  0.01604469  0.74925079  1
  C  C115  1  0.89770632  0.98404872  0.25084043  1
  C  C116  1  0.05375774  0.08593312  0.70239069  1
  C  C117  1  0.94594894  0.91417293  0.29771080  1
  C  C118  1  0.02680783  0.18309235  0.74334980  1
  C  C119  1  0.97279991  0.81699166  0.25678228  1
  C  C120  1  0.97948954  0.25615494  0.69692237  1
  C  C121  1  0.02001788  0.74397588  0.30324792  1
  C  C122  1  0.95222503  0.35042825  0.73847299  1
  C  C123  1  0.04730864  0.64968286  0.26169889  1
  C  C124  1  0.97260048  0.37531494  0.82837773  1
  C  C125  1  0.02687080  0.62473571  0.17178700  1
  C  C126  1  0.02022899  0.30550136  0.87548203  1
  C  C127  1  0.97928189  0.69452967  0.12466203  1
  N  N128  1  0.51759034  0.10188399  0.61960500  1
  N  N129  1  0.48363453  0.89864347  0.38209079  1
  N  N130  1  0.67852124  0.08387889  0.46080070  1
  N  N131  1  0.32362720  0.91603231  0.54150242  1
  N  N132  1  0.31214396  0.39798869  0.47956530  1
  N  N133  1  0.68651807  0.60098870  0.50957541  1
  N  N134  1  0.69498116  0.40513257  0.48916503  1
  N  N135  1  0.30355610  0.59343045  0.49779920  1
  N  N136  1  0.49271062  0.48295538  0.35839514  1
  N  N137  1  0.50668391  0.51770998  0.64259975  1
  N  N138  1  0.29410646  0.07670355  0.45689714  1
  N  N139  1  0.70835817  0.92267192  0.54582657  1
