# generated using pymatgen
data_VFeH48Pd2(C19N3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26964551
_cell_length_b   14.08478756
_cell_length_c   16.08131600
_cell_angle_alpha   101.76994316
_cell_angle_beta   95.39789485
_cell_angle_gamma   90.00348521
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeH48Pd2(C19N3)4
_chemical_formula_sum   'V1 Fe1 H48 Pd2 C76 N12'
_cell_volume   1604.50691611
_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
  Fe  Fe0  1  0.50044954  1.00012721  0.50107098  1
  V  V1  1  0.49902308  0.49988568  0.49625897  1
  H  H2  1  0.55972194  0.98971295  0.68625928  1
  H  H3  1  0.44105278  0.01084183  0.31538412  1
  H  H4  1  0.56634119  0.09440669  0.82923603  1
  H  H5  1  0.43315706  0.90604427  0.17237406  1
  H  H6  1  0.48460693  0.33973309  0.70715560  1
  H  H7  1  0.51565592  0.66085798  0.29443695  1
  H  H8  1  0.48444343  0.22780141  0.56913779  1
  H  H9  1  0.51641595  0.77273085  0.43246777  1
  H  H10  1  0.77327401  0.52222195  0.36488498  1
  H  H11  1  0.22728221  0.47524137  0.63662862  1
  H  H12  1  0.78025686  0.49292216  0.20823994  1
  H  H13  1  0.22128999  0.50550411  0.79192961  1
  H  H14  1  0.20514522  0.40405598  0.18136703  1
  H  H15  1  0.79368224  0.59734347  0.81840881  1
  H  H16  1  0.21195283  0.44050124  0.33881631  1
  H  H17  1  0.78605615  0.56366751  0.66246372  1
  H  H18  1  0.47430821  0.20381681  0.32166067  1
  H  H19  1  0.52562466  0.79629376  0.67838469  1
  H  H20  1  0.19236328  0.11163242  0.25026248  1
  H  H21  1  0.80747951  0.88846659  0.74985076  1
  H  H22  1  0.16194075  0.05091361  0.09156238  1
  H  H23  1  0.83776021  0.94911345  0.90856885  1
  H  H24  1  0.41318094  0.08607899  0.00624749  1
  H  H25  1  0.58645134  0.91382776  0.99381719  1
  H  H26  1  0.77888042  0.27194585  0.31457018  1
  H  H27  1  0.22134490  0.72773655  0.68540358  1
  H  H28  1  0.03873564  0.29751199  0.23064766  1
  H  H29  1  0.96136757  0.70215058  0.76918512  1
  H  H30  1  0.00326520  0.24434679  0.07120152  1
  H  H31  1  0.99644429  0.75548832  0.92861607  1
  H  H32  1  0.71340222  0.15879422  0.99825866  1
  H  H33  1  0.28622723  0.84105656  0.00171028  1
  H  H34  1  0.11722923  0.15652722  0.95031864  1
  H  H35  1  0.88256386  0.84353488  0.04979145  1
  H  H36  1  0.16565107  0.98621556  0.87622664  1
  H  H37  1  0.83411305  0.01384554  0.12385956  1
  H  H38  1  0.12460983  0.94211229  0.71582577  1
  H  H39  1  0.87514011  0.05798896  0.28423555  1
  H  H40  1  0.03608100  0.06746347  0.63281730  1
  H  H41  1  0.96362361  0.93266843  0.36727775  1
  H  H42  1  0.96411679  0.23530084  0.62742552  1
  H  H43  1  0.03538158  0.76488734  0.37277695  1
  H  H44  1  0.91394932  0.40531548  0.70139367  1
  H  H45  1  0.08576919  0.59488342  0.29882643  1
  H  H46  1  0.94877707  0.44934414  0.86127268  1
  H  H47  1  0.05042048  0.55066657  0.13893175  1
  H  H48  1  0.03818999  0.32388845  0.94516372  1
  H  H49  1  0.96135333  0.67611246  0.05496240  1
  Pd  Pd50  1  0.99424985  0.23808280  0.46453229  1
  Pd  Pd51  1  0.00755277  0.76097690  0.53412958  1
  C  C52  1  0.54227636  0.06746786  0.69266539  1
  C  C53  1  0.45833026  0.93304622  0.30894359  1
  C  C54  1  0.54542245  0.12579859  0.77305543  1
  C  C55  1  0.45444289  0.87463459  0.22852388  1
  C  C56  1  0.52260077  0.22684903  0.78115171  1
  C  C57  1  0.47716921  0.77352516  0.22030262  1
  C  C58  1  0.50132501  0.26283164  0.70490732  1
  C  C59  1  0.49900699  0.73773693  0.29664588  1
  C  C60  1  0.50021006  0.19893451  0.62721629  1
  C  C61  1  0.50062084  0.80163081  0.37438713  1
  C  C62  1  0.52052825  0.28817286  0.86141285  1
  C  C63  1  0.47897257  0.71195224  0.13998516  1
  C  C64  1  0.51311815  0.33532316  0.93527647  1
  C  C65  1  0.48664197  0.66411434  0.06633330  1
  C  C66  1  0.79205460  0.13974504  0.45869265  1
  C  C67  1  0.20997600  0.85985405  0.54300129  1
  C  C68  1  0.19365911  0.33789514  0.47384943  1
  C  C69  1  0.80676553  0.66102340  0.52045316  1
  C  C70  1  0.80878120  0.34342880  0.47917675  1
  C  C71  1  0.19126620  0.65531895  0.51243953  1
  C  C72  1  0.18349811  0.13403645  0.45644067  1
  C  C73  1  0.81872480  0.86529930  0.54520324  1
  C  C74  1  0.64878141  0.49720943  0.32295469  1
  C  C75  1  0.35249803  0.50237776  0.67734319  1
  C  C76  1  0.65433052  0.47948251  0.23563054  1
  C  C77  1  0.34700582  0.51982324  0.76482730  1
  C  C78  1  0.49431480  0.44275326  0.18157738  1
  C  C79  1  0.50591466  0.55719809  0.81951358  1
  C  C80  1  0.33189270  0.43001454  0.22065717  1
  C  C81  1  0.66667884  0.57091036  0.77957279  1
  C  C82  1  0.33656811  0.45087001  0.30862325  1
  C  C83  1  0.66075542  0.55117994  0.69140208  1
  C  C84  1  0.49731874  0.41614333  0.09293278  1
  C  C85  1  0.50312387  0.58317608  0.90851881  1
  C  C86  1  0.50254443  0.38094401  0.01579061  1
  C  C87  1  0.49774074  0.61817868  0.98579756  1
  C  C88  1  0.45922449  0.17739379  0.25268184  1
  C  C89  1  0.54073805  0.82255293  0.74737954  1
  C  C90  1  0.30184011  0.12636837  0.21238817  1
  C  C91  1  0.69804959  0.87362237  0.78771825  1
  C  C92  1  0.28455991  0.09245028  0.12327424  1
  C  C93  1  0.71522833  0.90751448  0.87683209  1
  C  C94  1  0.42419244  0.11111635  0.07540877  1
  C  C95  1  0.57555585  0.88878960  0.92465542  1
  C  C96  1  0.60549900  0.19569902  0.20558280  1
  C  C97  1  0.39442929  0.80418883  0.79441709  1
  C  C98  1  0.76951895  0.24555472  0.24548960  1
  C  C99  1  0.23054445  0.75422577  0.75443862  1
  C  C100  1  0.91159364  0.26128755  0.19803139  1
  C  C101  1  0.08843210  0.73847894  0.80184747  1
  C  C102  1  0.89209397  0.23034856  0.10848968  1
  C  C103  1  0.10774340  0.76947540  0.89139240  1
  C  C104  1  0.73277141  0.18146553  0.06766291  1
  C  C105  1  0.26701197  0.81835584  0.93230362  1
  C  C106  1  0.58742923  0.16216004  0.11492562  1
  C  C107  1  0.41240048  0.83769480  0.88508456  1
  C  C108  1  0.04824283  0.20836381  0.83460685  1
  C  C109  1  0.95135631  0.79169074  0.16551200  1
  C  C110  1  0.09838466  0.13534877  0.88083183  1
  C  C111  1  0.90131426  0.86470757  0.11927813  1
  C  C112  1  0.12539395  0.04098019  0.83906352  1
  C  C113  1  0.87432567  0.95908536  0.16102882  1
  C  C114  1  0.10207183  0.01610495  0.74921745  1
  C  C115  1  0.89763042  0.98399042  0.25086611  1
  C  C116  1  0.05379799  0.08596441  0.70233989  1
  C  C117  1  0.94590690  0.91415120  0.29775685  1
  C  C118  1  0.02679267  0.18309585  0.74335779  1
  C  C119  1  0.97281719  0.81699604  0.25676881  1
  C  C120  1  0.97946263  0.25614874  0.69695951  1
  C  C121  1  0.02006911  0.74400402  0.30321609  1
  C  C122  1  0.95235224  0.35043786  0.73857596  1
  C  C123  1  0.04716090  0.64968957  0.26158194  1
  C  C124  1  0.97272146  0.37529312  0.82849465  1
  C  C125  1  0.02669884  0.62476758  0.17166686  1
  C  C126  1  0.02049862  0.30548487  0.87556692  1
  C  C127  1  0.97901037  0.69455416  0.12456052  1
  N  N128  1  0.51758491  0.10183984  0.61991143  1
  N  N129  1  0.48338580  0.89869895  0.38174589  1
  N  N130  1  0.67717921  0.08275104  0.46252134  1
  N  N131  1  0.32463488  0.91720781  0.53976720  1
  N  N132  1  0.31252515  0.39659409  0.48058624  1
  N  N133  1  0.68683477  0.60247509  0.51132485  1
  N  N134  1  0.69739763  0.40422823  0.49038197  1
  N  N135  1  0.30201398  0.59443945  0.49907956  1
  N  N136  1  0.49276063  0.48288078  0.36018926  1
  N  N137  1  0.50618965  0.51817563  0.63921008  1
  N  N138  1  0.29787917  0.07564189  0.45906110  1
  N  N139  1  0.70456077  0.92398064  0.54351563  1
