# generated using pymatgen
data_VFeH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48481100
_cell_length_b   13.97992894
_cell_length_c   14.88278009
_cell_angle_alpha   87.37540975
_cell_angle_beta   83.15569486
_cell_angle_gamma   89.60629133
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeH36Pd2C60(N2O)8
_chemical_formula_sum   'V1 Fe1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.57002243
_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  0.49999927  0.49999887  0.49999828  1
  V  V1  1  0.49999762  0.00000273  0.49999793  1
  H  H2  1  0.53245710  0.47645054  0.29682343  1
  H  H3  1  0.46754178  0.52354871  0.70317456  1
  H  H4  1  0.53804856  0.57412671  0.15400563  1
  H  H5  1  0.46194194  0.42587178  0.84599271  1
  H  H6  1  0.50263519  0.82586451  0.31374733  1
  H  H7  1  0.49737411  0.17413464  0.68624929  1
  H  H8  1  0.50333793  0.71971427  0.44954634  1
  H  H9  1  0.49667224  0.28028525  0.55045130  1
  H  H10  1  0.77628521  0.00411803  0.64034313  1
  H  H11  1  0.22371434  0.99588367  0.35966091  1
  H  H12  1  0.78238928  0.96094311  0.80228361  1
  H  H13  1  0.21760574  0.03905447  0.19771843  1
  H  H14  1  0.20057480  0.95384552  0.83244411  1
  H  H15  1  0.79941932  0.04615957  0.16755518  1
  H  H16  1  0.21426060  0.99713391  0.66914756  1
  H  H17  1  0.78573810  0.00287316  0.33085206  1
  H  H18  1  0.01563913  0.71801787  0.06843736  1
  H  H19  1  0.98436262  0.28197811  0.93156227  1
  H  H20  1  0.02622498  0.54061220  0.08345425  1
  H  H21  1  0.97378053  0.45938503  0.91654544  1
  H  H22  1  0.03789503  0.45861430  0.23524579  1
  H  H23  1  0.96210760  0.54138262  0.76475427  1
  H  H24  1  0.03593735  0.55487757  0.37146557  1
  H  H25  1  0.96406505  0.44511932  0.62853453  1
  H  H26  1  0.02743185  0.73298280  0.35598843  1
  H  H27  1  0.97256617  0.26701371  0.64401229  1
  H  H28  1  0.23795511  0.26359401  0.24203393  1
  H  H29  1  0.76205678  0.73641024  0.75797597  1
  H  H30  1  0.48883192  0.23502708  0.33599091  1
  H  H31  1  0.51118776  0.76497838  0.66401472  1
  H  H32  1  0.79864545  0.28856601  0.27749800  1
  H  H33  1  0.20137249  0.71143553  0.72250027  1
  H  H34  1  0.85534568  0.37505112  0.12644846  1
  H  H35  1  0.14466432  0.62494357  0.87354619  1
  H  H36  1  0.60219936  0.41016409  0.03597027  1
  H  H37  1  0.39780337  0.58983072  0.96402880  1
  Pd  Pd38  1  0.00909860  0.25921285  0.45925629  1
  Pd  Pd39  1  0.99090027  0.74078833  0.54073576  1
  C  C40  1  0.52646778  0.55404771  0.29831006  1
  C  C41  1  0.47353004  0.44595087  0.70168827  1
  C  C42  1  0.52813437  0.60837487  0.21827528  1
  C  C43  1  0.47186005  0.39162356  0.78172346  1
  C  C44  1  0.51755137  0.70910274  0.22118783  1
  C  C45  1  0.48244681  0.29089595  0.77881063  1
  C  C46  1  0.50894519  0.74892313  0.30722312  1
  C  C47  1  0.49105922  0.25107614  0.69277447  1
  C  C48  1  0.50954478  0.68893944  0.38341489  1
  C  C49  1  0.49046057  0.31105994  0.61658290  1
  C  C50  1  0.51240610  0.76671942  0.14218935  1
  C  C51  1  0.48758495  0.23327899  0.85780869  1
  C  C52  1  0.50586838  0.81612458  0.07129621  1
  C  C53  1  0.49411793  0.18387493  0.92870323  1
  C  C54  1  0.17796076  0.63938071  0.55534548  1
  C  C55  1  0.82203410  0.36061910  0.44464916  1
  C  C56  1  0.19333735  0.16043305  0.48688210  1
  C  C57  1  0.80666272  0.83956870  0.51311136  1
  C  C58  1  0.81442609  0.15939480  0.47502041  1
  C  C59  1  0.18557065  0.84060754  0.52497334  1
  C  C60  1  0.20214386  0.35984144  0.44950032  1
  C  C61  1  0.79785493  0.64015932  0.55049530  1
  C  C62  1  0.65099202  0.99044924  0.68405975  1
  C  C63  1  0.34900567  0.00955266  0.31594195  1
  C  C64  1  0.65489263  0.96565785  0.77456491  1
  C  C65  1  0.34510311  0.03434359  0.22543689  1
  C  C66  1  0.49140757  0.94659401  0.83046064  1
  C  C67  1  0.50858533  0.05341107  0.16954172  1
  C  C68  1  0.32981812  0.96182851  0.79133508  1
  C  C69  1  0.67017707  0.03817751  0.20866534  1
  C  C70  1  0.33795623  0.98647921  0.70004298  1
  C  C71  1  0.66204242  0.01352635  0.29995690  1
  C  C72  1  0.49050951  0.90987553  0.91960533  1
  C  C73  1  0.50948372  0.09012982  0.08039672  1
  C  C74  1  0.49768567  0.86644264  0.99351206  1
  C  C75  1  0.50230079  0.13355789  0.00648839  1
  C  C76  1  0.02223252  0.73531453  0.21154962  1
  C  C77  1  0.97776524  0.26468255  0.78845068  1
  C  C78  1  0.02177878  0.68179612  0.13418640  1
  C  C79  1  0.97822368  0.31820090  0.86581366  1
  C  C80  1  0.02704764  0.58254360  0.14325132  1
  C  C81  1  0.97295614  0.41745329  0.85674864  1
  C  C82  1  0.03323468  0.53649326  0.22839305  1
  C  C83  1  0.96676749  0.46350380  0.77160697  1
  C  C84  1  0.03267885  0.59063136  0.30506487  1
  C  C85  1  0.96732256  0.40936568  0.69493516  1
  C  C86  1  0.02736267  0.68984043  0.29708162  1
  C  C87  1  0.97263695  0.31015634  0.70291861  1
  C  C88  1  0.40635023  0.33827896  0.13369196  1
  C  C89  1  0.59365611  0.66172190  0.86631469  1
  C  C90  1  0.37321493  0.28855425  0.21819626  1
  C  C91  1  0.62679652  0.71144964  0.78181136  1
  C  C92  1  0.51423660  0.27223248  0.26971100  1
  C  C93  1  0.48577844  0.72777186  0.73029425  1
  C  C94  1  0.68817504  0.30280089  0.23702069  1
  C  C95  1  0.31183991  0.69720120  0.76297991  1
  C  C96  1  0.71966456  0.35224760  0.15274452  1
  C  C97  1  0.28034574  0.64775077  0.84725400  1
  C  C98  1  0.57965375  0.37144593  0.10130053  1
  C  C99  1  0.42035224  0.62855253  0.89870100  1
  N  N100  1  0.51592283  0.59228631  0.38044361  1
  N  N101  1  0.48407784  0.40771304  0.61955433  1
  N  N102  1  0.29364864  0.58207124  0.55458756  1
  N  N103  1  0.70634488  0.41792812  0.44541000  1
  N  N104  1  0.30407949  0.10369566  0.50151379  1
  N  N105  1  0.69592075  0.89630675  0.49848035  1
  N  N106  1  0.69818707  0.10237276  0.48546244  1
  N  N107  1  0.30180725  0.89763104  0.51453291  1
  N  N108  1  0.49566921  0.99746454  0.64507813  1
  N  N109  1  0.50432983  0.00253972  0.35492342  1
  N  N110  1  0.31704381  0.41604788  0.45217636  1
  N  N111  1  0.68295555  0.58395181  0.54782126  1
  N  N112  1  0.01671880  0.83865802  0.20377338  1
  N  N113  1  0.98327200  0.16133904  0.79622726  1
  N  N114  1  0.26329906  0.35381193  0.07922850  1
  N  N115  1  0.73670210  0.64618727  0.92078075  1
  O  O116  1  0.01615411  0.88305770  0.27492262  1
  O  O117  1  0.98382305  0.11693960  0.72507848  1
  O  O118  1  0.01284688  0.87784724  0.12755369  1
  O  O119  1  0.98715046  0.12214951  0.87244619  1
  O  O120  1  0.12241913  0.30565007  0.09865287  1
  O  O121  1  0.87758507  0.69434737  0.90135906  1
  O  O122  1  0.28603554  0.41440266  0.01421935  1
  O  O123  1  0.71395900  0.58559594  0.98578941  1
