# generated using pymatgen
data_VCrH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48483279
_cell_length_b   13.97984809
_cell_length_c   14.88275644
_cell_angle_alpha   87.37497245
_cell_angle_beta   83.15563965
_cell_angle_gamma   89.60626141
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrH36Pd2C60(N2O)8
_chemical_formula_sum   'V1 Cr1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.56241246
_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  0.49999896  0.49999921  0.49999847  1
  Cr  Cr1  1  0.49999926  0.00000206  0.49999765  1
  H  H2  1  0.53267095  0.47611852  0.29745107  1
  H  H3  1  0.46732815  0.52388049  0.70254729  1
  H  H4  1  0.53799846  0.57426799  0.15389471  1
  H  H5  1  0.46199199  0.42573066  0.84610355  1
  H  H6  1  0.50264973  0.82581322  0.31353760  1
  H  H7  1  0.49735947  0.17418597  0.68645893  1
  H  H8  1  0.50320098  0.71949970  0.44995430  1
  H  H9  1  0.49680921  0.28049997  0.55004342  1
  H  H10  1  0.77648178  0.00399789  0.64050972  1
  H  H11  1  0.22351748  0.99600342  0.35949351  1
  H  H12  1  0.78224863  0.96086585  0.80221802  1
  H  H13  1  0.21774647  0.03913169  0.19778370  1
  H  H14  1  0.20070918  0.95380564  0.83231823  1
  H  H15  1  0.79928458  0.04619951  0.16768088  1
  H  H16  1  0.21405744  0.99687784  0.66934350  1
  H  H17  1  0.78594204  0.00312928  0.33065613  1
  H  H18  1  0.01570590  0.71805312  0.06847987  1
  H  H19  1  0.98429585  0.28194316  0.93151973  1
  H  H20  1  0.02611754  0.54055614  0.08351171  1
  H  H21  1  0.97388821  0.45944104  0.91648805  1
  H  H22  1  0.03771323  0.45861064  0.23527179  1
  H  H23  1  0.96228955  0.54138635  0.76472829  1
  H  H24  1  0.03591391  0.55487170  0.37147782  1
  H  H25  1  0.96408856  0.44512518  0.62852230  1
  H  H26  1  0.02735699  0.73299554  0.35594854  1
  H  H27  1  0.97264090  0.26700082  0.64405222  1
  H  H28  1  0.23800945  0.26363173  0.24214139  1
  H  H29  1  0.76200287  0.73637244  0.75786848  1
  H  H30  1  0.48900118  0.23497579  0.33598751  1
  H  H31  1  0.51101846  0.76502943  0.66401826  1
  H  H32  1  0.79871899  0.28853554  0.27745340  1
  H  H33  1  0.20129874  0.71146583  0.72254498  1
  H  H34  1  0.85534356  0.37513187  0.12657167  1
  H  H35  1  0.14466676  0.62486269  0.87342286  1
  H  H36  1  0.60211020  0.41015228  0.03599012  1
  H  H37  1  0.39789233  0.58984245  0.96400907  1
  Pd  Pd38  1  0.00922827  0.25826572  0.45960645  1
  Pd  Pd39  1  0.99077049  0.74173530  0.54038553  1
  C  C40  1  0.52649721  0.55383897  0.29822652  1
  C  C41  1  0.47350038  0.44615998  0.70177147  1
  C  C42  1  0.52813933  0.60831271  0.21831310  1
  C  C43  1  0.47185497  0.39168576  0.78168520  1
  C  C44  1  0.51755445  0.70899766  0.22127955  1
  C  C45  1  0.48244375  0.29100108  0.77871907  1
  C  C46  1  0.50897440  0.74883199  0.30728542  1
  C  C47  1  0.49103000  0.25116732  0.69271223  1
  C  C48  1  0.50949770  0.68916165  0.38363330  1
  C  C49  1  0.49050753  0.31083774  0.61636462  1
  C  C50  1  0.51242346  0.76668363  0.14229509  1
  C  C51  1  0.48756850  0.23331447  0.85770372  1
  C  C52  1  0.50577639  0.81610029  0.07143192  1
  C  C53  1  0.49420931  0.18389859  0.92856712  1
  C  C54  1  0.17684343  0.64051370  0.55529078  1
  C  C55  1  0.82315179  0.35948587  0.44470380  1
  C  C56  1  0.19422554  0.15948531  0.48696990  1
  C  C57  1  0.80577390  0.84051723  0.51302382  1
  C  C58  1  0.81385986  0.15858455  0.47514860  1
  C  C59  1  0.18613719  0.84141754  0.52484485  1
  C  C60  1  0.20129874  0.35881852  0.44951874  1
  C  C61  1  0.79869986  0.64118228  0.55047679  1
  C  C62  1  0.65081647  0.99041328  0.68393850  1
  C  C63  1  0.34918120  0.00958848  0.31606351  1
  C  C64  1  0.65485751  0.96572258  0.77446731  1
  C  C65  1  0.34513745  0.03427886  0.22553467  1
  C  C66  1  0.49145506  0.94668149  0.83052495  1
  C  C67  1  0.50853801  0.05332383  0.16947725  1
  C  C68  1  0.32993400  0.96190401  0.79125192  1
  C  C69  1  0.67006100  0.03810206  0.20874867  1
  C  C70  1  0.33810183  0.98645992  0.69994802  1
  C  C71  1  0.66189643  0.01354553  0.30005216  1
  C  C72  1  0.49069245  0.90978828  0.91957416  1
  C  C73  1  0.50930214  0.09021736  0.08042822  1
  C  C74  1  0.49765545  0.86636659  0.99354271  1
  C  C75  1  0.50233043  0.13363387  0.00645794  1
  C  C76  1  0.02226286  0.73537492  0.21154789  1
  C  C77  1  0.97773532  0.26462203  0.78845226  1
  C  C78  1  0.02183784  0.68174240  0.13418471  1
  C  C79  1  0.97816490  0.31825454  0.86581528  1
  C  C80  1  0.02707432  0.58251203  0.14327605  1
  C  C81  1  0.97292919  0.41748490  0.85672402  1
  C  C82  1  0.03321129  0.53649457  0.22842032  1
  C  C83  1  0.96679049  0.46350241  0.77157982  1
  C  C84  1  0.03267440  0.59061019  0.30508068  1
  C  C85  1  0.96732697  0.40938675  0.69491946  1
  C  C86  1  0.02736825  0.68984475  0.29706380  1
  C  C87  1  0.97263165  0.31015201  0.70293645  1
  C  C88  1  0.40631664  0.33827634  0.13368792  1
  C  C89  1  0.59368999  0.66172480  0.86631839  1
  C  C90  1  0.37327898  0.28855715  0.21826808  1
  C  C91  1  0.62673200  0.71144680  0.78173965  1
  C  C92  1  0.51423016  0.27224529  0.26978535  1
  C  C93  1  0.48578496  0.72775922  0.73021959  1
  C  C94  1  0.68815681  0.30284461  0.23708012  1
  C  C95  1  0.31185744  0.69715744  0.76292042  1
  C  C96  1  0.71969665  0.35230562  0.15282419  1
  C  C97  1  0.28031360  0.64769283  0.84717441  1
  C  C98  1  0.57972447  0.37145953  0.10134273  1
  C  C99  1  0.42028190  0.62853920  0.89865858  1
  N  N100  1  0.51588850  0.59211796  0.38072126  1
  N  N101  1  0.48411135  0.40788101  0.61927680  1
  N  N102  1  0.29116023  0.58243926  0.55657990  1
  N  N103  1  0.70883339  0.41755974  0.44341704  1
  N  N104  1  0.30561769  0.10304182  0.50117257  1
  N  N105  1  0.69438254  0.89696187  0.49882263  1
  N  N106  1  0.69726811  0.10191656  0.48540021  1
  N  N107  1  0.30272632  0.89808737  0.51459479  1
  N  N108  1  0.49567915  0.99761279  0.64481709  1
  N  N109  1  0.50432000  0.00239150  0.35518397  1
  N  N110  1  0.31570593  0.41582441  0.45102432  1
  N  N111  1  0.68429387  0.58417533  0.54897381  1
  N  N112  1  0.01678887  0.83855601  0.20376778  1
  N  N113  1  0.98320196  0.16144098  0.79623266  1
  N  N114  1  0.26348542  0.35378339  0.07927222  1
  N  N115  1  0.73651547  0.64621570  0.92073714  1
  O  O116  1  0.01630320  0.88303436  0.27489226  1
  O  O117  1  0.98367307  0.11696278  0.72510885  1
  O  O118  1  0.01285992  0.87782370  0.12750989  1
  O  O119  1  0.98713763  0.12217305  0.87248998  1
  O  O120  1  0.12247778  0.30548684  0.09864189  1
  O  O121  1  0.87752699  0.69451048  0.90137023  1
  O  O122  1  0.28587492  0.41447048  0.01428814  1
  O  O123  1  0.71411883  0.58552840  0.98572057  1
