# generated using pymatgen
data_CoNiH36Pd2C60(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48512312
_cell_length_b   13.98030606
_cell_length_c   14.88286029
_cell_angle_alpha   87.37769180
_cell_angle_beta   83.15455669
_cell_angle_gamma   89.60630064
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiH36Pd2C60(N2O)8
_chemical_formula_sum   'Co1 Ni1 H36 Pd2 C60 N16 O8'
_cell_volume   1544.68355183
_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  0.49999817  0.49999873  0.49999883  1
  Co  Co1  1  0.49999751  0.00000312  0.49999679  1
  H  H2  1  0.53257200  0.47701216  0.29779974  1
  H  H3  1  0.46742727  0.52298676  0.70219836  1
  H  H4  1  0.53791589  0.57449638  0.15390886  1
  H  H5  1  0.46207455  0.42550229  0.84608927  1
  H  H6  1  0.50260956  0.82578545  0.31356844  1
  H  H7  1  0.49739976  0.17421429  0.68642817  1
  H  H8  1  0.50325054  0.71887408  0.44932495  1
  H  H9  1  0.49675970  0.28112531  0.55067237  1
  H  H10  1  0.77479944  0.00380476  0.64018830  1
  H  H11  1  0.22520019  0.99619666  0.35981550  1
  H  H12  1  0.78232963  0.96070446  0.80244966  1
  H  H13  1  0.21766516  0.03929309  0.19755182  1
  H  H14  1  0.20069529  0.95366776  0.83252231  1
  H  H15  1  0.79929877  0.04633745  0.16747671  1
  H  H16  1  0.21611635  0.99674721  0.66867937  1
  H  H17  1  0.78388280  0.00326018  0.33132049  1
  H  H18  1  0.01577643  0.71802059  0.06870690  1
  H  H19  1  0.98422538  0.28197568  0.93129269  1
  H  H20  1  0.02603106  0.54056535  0.08371644  1
  H  H21  1  0.97397476  0.45943182  0.91628322  1
  H  H22  1  0.03737400  0.45854853  0.23545979  1
  H  H23  1  0.96262888  0.54144846  0.76454030  1
  H  H24  1  0.03583550  0.55476251  0.37150174  1
  H  H25  1  0.96416698  0.44523426  0.62849855  1
  H  H26  1  0.02721441  0.73286703  0.35600472  1
  H  H27  1  0.97278350  0.26712938  0.64399599  1
  H  H28  1  0.23814885  0.26374091  0.24222523  1
  H  H29  1  0.76186326  0.73626305  0.75778480  1
  H  H30  1  0.48917672  0.23520133  0.33615828  1
  H  H31  1  0.51084306  0.76480396  0.66384729  1
  H  H32  1  0.79870789  0.28866525  0.27758980  1
  H  H33  1  0.20130952  0.71133642  0.72240901  1
  H  H34  1  0.85522485  0.37520155  0.12672591  1
  H  H35  1  0.14478563  0.62479301  0.87326836  1
  H  H36  1  0.60205070  0.41007311  0.03611603  1
  H  H37  1  0.39795162  0.58992157  0.96388306  1
  Pd  Pd38  1  0.00928709  0.25877994  0.45904601  1
  Pd  Pd39  1  0.99071212  0.74122098  0.54094566  1
  C  C40  1  0.52644990  0.55453549  0.29861840  1
  C  C41  1  0.47354775  0.44546338  0.70138001  1
  C  C42  1  0.52808632  0.60854262  0.21827825  1
  C  C43  1  0.47190783  0.39145587  0.78171997  1
  C  C44  1  0.51761747  0.70916316  0.22113122  1
  C  C45  1  0.48238113  0.29083538  0.77886637  1
  C  C46  1  0.50896872  0.74888245  0.30709516  1
  C  C47  1  0.49103560  0.25111662  0.69290269  1
  C  C48  1  0.50952179  0.68854614  0.38315975  1
  C  C49  1  0.49048325  0.31145316  0.61683814  1
  C  C50  1  0.51240202  0.76670197  0.14223742  1
  C  C51  1  0.48759017  0.23329573  0.85776164  1
  C  C52  1  0.50572137  0.81612813  0.07144740  1
  C  C53  1  0.49426412  0.18387090  0.92855205  1
  C  C54  1  0.17703170  0.63976131  0.55602052  1
  C  C55  1  0.82296221  0.36023751  0.44397336  1
  C  C56  1  0.19287582  0.16021630  0.48697101  1
  C  C57  1  0.80712464  0.83978591  0.51302242  1
  C  C58  1  0.81504072  0.15920779  0.47506179  1
  C  C59  1  0.18495602  0.84079440  0.52493126  1
  C  C60  1  0.20163944  0.35951301  0.44868343  1
  C  C61  1  0.79835928  0.64048801  0.55131198  1
  C  C62  1  0.65018615  0.99035207  0.68421612  1
  C  C63  1  0.34981170  0.00964959  0.31578613  1
  C  C64  1  0.65501769  0.96571587  0.77474836  1
  C  C65  1  0.34497708  0.03428548  0.22525417  1
  C  C66  1  0.49152631  0.94675319  0.83068105  1
  C  C67  1  0.50846720  0.05325218  0.16932106  1
  C  C68  1  0.32984829  0.96190106  0.79150362  1
  C  C69  1  0.67014682  0.03810521  0.20849698  1
  C  C70  1  0.33891260  0.98641828  0.70012849  1
  C  C71  1  0.66108581  0.01358700  0.29987188  1
  C  C72  1  0.49075828  0.90966363  0.91964800  1
  C  C73  1  0.50923648  0.09034264  0.08035392  1
  C  C74  1  0.49763521  0.86631627  0.99355233  1
  C  C75  1  0.50235027  0.13368414  0.00644814  1
  C  C76  1  0.02228853  0.73551064  0.21166156  1
  C  C77  1  0.97770991  0.26448614  0.78833888  1
  C  C78  1  0.02190330  0.68167270  0.13433086  1
  C  C79  1  0.97809968  0.31832427  0.86566922  1
  C  C80  1  0.02707539  0.58252095  0.14341580  1
  C  C81  1  0.97292797  0.41747607  0.85658417  1
  C  C82  1  0.03314618  0.53645829  0.22859108  1
  C  C83  1  0.96685539  0.46353860  0.77140906  1
  C  C84  1  0.03264955  0.59061649  0.30524479  1
  C  C85  1  0.96735176  0.40938030  0.69475538  1
  C  C86  1  0.02731929  0.68972208  0.29719449  1
  C  C87  1  0.97268091  0.31027485  0.70280570  1
  C  C88  1  0.40606499  0.33828655  0.13367923  1
  C  C89  1  0.59394239  0.66171496  0.86632694  1
  C  C90  1  0.37334968  0.28860354  0.21836698  1
  C  C91  1  0.62666145  0.71140070  0.78164065  1
  C  C92  1  0.51419037  0.27226263  0.26985828  1
  C  C93  1  0.48582440  0.72774197  0.73014696  1
  C  C94  1  0.68814750  0.30282390  0.23715462  1
  C  C95  1  0.31186688  0.69717824  0.76284655  1
  C  C96  1  0.71959207  0.35237061  0.15287263  1
  C  C97  1  0.28041848  0.64762777  0.84712632  1
  C  C98  1  0.57973016  0.37144376  0.10143674  1
  C  C99  1  0.42027629  0.62855502  0.89856467  1
  N  N100  1  0.51593145  0.59242065  0.38049742  1
  N  N101  1  0.48406915  0.40757866  0.61950056  1
  N  N102  1  0.29184664  0.58222248  0.55639007  1
  N  N103  1  0.70814751  0.41777677  0.44360735  1
  N  N104  1  0.30359565  0.10389729  0.50185602  1
  N  N105  1  0.69640540  0.89610605  0.49813932  1
  N  N106  1  0.69877019  0.10252957  0.48544246  1
  N  N107  1  0.30122355  0.89747445  0.51455304  1
  N  N108  1  0.49574329  0.99783104  0.64590496  1
  N  N109  1  0.50425658  0.00217241  0.35409610  1
  N  N110  1  0.31605821  0.41590023  0.45104601  1
  N  N111  1  0.68394095  0.58409980  0.54895200  1
  N  N112  1  0.01684451  0.83852818  0.20376973  1
  N  N113  1  0.98314657  0.16146877  0.79623064  1
  N  N114  1  0.26343646  0.35372453  0.07931881  1
  N  N115  1  0.73656461  0.64627457  0.92069059  1
  O  O116  1  0.01638460  0.88299503  0.27484924  1
  O  O117  1  0.98359075  0.11700204  0.72515187  1
  O  O118  1  0.01291496  0.87764996  0.12749594  1
  O  O119  1  0.98708278  0.12234669  0.87250371  1
  O  O120  1  0.12275389  0.30527223  0.09862491  1
  O  O121  1  0.87725037  0.69472488  0.90138705  1
  O  O122  1  0.28596043  0.41451434  0.01443953  1
  O  O123  1  0.71403312  0.58548448  0.98556936  1
