# generated using pymatgen
data_Co3H36C36S4(NO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50091275
_cell_length_b   11.10431372
_cell_length_c   11.34768848
_cell_angle_alpha   90.95112990
_cell_angle_beta   111.12924772
_cell_angle_gamma   89.46532948
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3H36C36S4(NO8)2
_chemical_formula_sum   'Co3 H36 C36 S4 N2 O16'
_cell_volume   999.02521706
_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
  Co  Co0  1  0.82301910  0.83712311  0.92819843  1
  Co  Co1  1  0.17697708  0.16288216  0.07179608  1
  Co  Co2  1  0.49999908  -0.00000378  -0.00000721  1
  H  H3  1  0.92189234  0.00974128  0.83192394  1
  H  H4  1  0.07808755  0.99026879  0.16806396  1
  H  H5  1  0.79999857  0.93345394  0.71763164  1
  H  H6  1  0.19999223  0.06654520  0.28235671  1
  H  H7  1  0.67153140  0.52888441  0.07298213  1
  H  H8  1  0.32850731  0.47113094  0.92702722  1
  H  H9  1  0.58689283  0.35824610  0.17490139  1
  H  H10  1  0.41314541  0.64175974  0.82509264  1
  H  H11  1  0.48751957  0.39654748  0.35392979  1
  H  H12  1  0.51249399  0.60344342  0.64605456  1
  H  H13  1  0.47899092  0.60793842  0.43220756  1
  H  H14  1  0.52102239  0.39204412  0.56779360  1
  H  H15  1  0.10777805  0.87167517  0.70299412  1
  H  H16  1  0.89221613  0.12832613  0.29700974  1
  H  H17  1  0.87857042  0.86218621  0.49272903  1
  H  H18  1  0.12142606  0.13781234  0.50727330  1
  H  H19  1  0.94713653  0.83350653  0.29865982  1
  H  H20  1  0.05286334  0.16648443  0.70134403  1
  H  H21  1  0.24733877  0.81475419  0.31647743  1
  H  H22  1  0.75266334  0.18523302  0.68353062  1
  H  H23  1  0.76667003  0.19016454  0.01207254  1
  H  H24  1  0.23330913  0.80984457  0.98791612  1
  H  H25  1  0.90801684  0.71114768  0.70573485  1
  H  H26  1  0.09199078  0.28884606  0.29426056  1
  H  H27  1  0.93582099  0.58083988  0.57177630  1
  H  H28  1  0.06416429  0.41914547  0.42821982  1
  H  H29  1  0.83272922  0.44018133  0.56729167  1
  H  H30  1  0.16725743  0.55980673  0.43271606  1
  H  H31  1  0.05628567  0.44937843  0.63882336  1
  H  H32  1  0.94370204  0.55060937  0.36117669  1
  H  H33  1  0.80778977  0.43256160  0.84992913  1
  H  H34  1  0.19221514  0.56744812  0.15008781  1
  H  H35  1  0.03072641  0.44277313  0.91945774  1
  H  H36  1  0.96928044  0.55722287  0.08054538  1
  H  H37  1  0.93843715  0.34768120  0.78477517  1
  H  H38  1  0.06154497  0.65231678  0.21522998  1
  C  C39  1  0.56409307  0.68600561  0.29305875  1
  C  C40  1  0.43591498  0.31399027  0.70694770  1
  C  C41  1  0.61448699  0.66522389  0.18845619  1
  C  C42  1  0.38552437  0.33478350  0.81154959  1
  C  C43  1  0.62719912  0.54587408  0.15079482  1
  C  C44  1  0.37282931  0.45413463  0.84920980  1
  C  C45  1  0.58149573  0.44972766  0.20912560  1
  C  C46  1  0.41853154  0.55027648  0.79087103  1
  C  C47  1  0.52673575  0.47133235  0.30980325  1
  C  C48  1  0.47327928  0.52866245  0.69018947  1
  C  C49  1  0.52027962  0.58911562  0.35312550  1
  C  C50  1  0.47973291  0.41087512  0.64687362  1
  C  C51  1  0.65159903  0.76533610  0.11517029  1
  C  C52  1  0.34840208  0.23467885  0.88483971  1
  C  C53  1  0.34525001  0.83155879  0.52033082  1
  C  C54  1  0.65474772  0.16843548  0.47967619  1
  C  C55  1  0.30888050  0.84564662  0.63179786  1
  C  C56  1  0.69111496  0.15435402  0.36820692  1
  C  C57  1  0.13880906  0.85715629  0.61865921  1
  C  C58  1  0.86118550  0.14284331  0.38134515  1
  C  C59  1  0.00955064  0.85180222  0.50035096  1
  C  C60  1  0.99044579  0.14819539  0.49965250  1
  C  C61  1  0.04775920  0.83608866  0.39144389  1
  C  C62  1  0.95223856  0.16390499  0.60856060  1
  C  C63  1  0.21576502  0.82549614  0.40121152  1
  C  C64  1  0.78423451  0.17449539  0.59879494  1
  C  C65  1  0.44159935  0.84954952  0.76306551  1
  C  C66  1  0.55839180  0.15045599  0.23693852  1
  C  C67  1  0.81239625  0.11181084  0.97221769  1
  C  C68  1  0.18759037  0.88819926  0.02777640  1
  C  C69  1  0.91104953  0.64377129  0.77709983  1
  C  C70  1  0.08895161  0.35622742  0.22289673  1
  C  C71  1  0.93779145  0.49819075  0.62366352  1
  C  C72  1  0.06219747  0.50179845  0.37633844  1
  C  C73  1  0.92465052  0.43287890  0.82956575  1
  C  C74  1  0.07534768  0.56712186  0.17044155  1
  S  S75  1  0.55684666  0.83246079  0.34986814  1
  S  S76  1  0.44315988  0.16753243  0.65014341  1
  S  S77  1  0.55599551  0.82219965  0.53101449  1
  S  S78  1  0.44400128  0.17779200  0.46899472  1
  N  N79  1  0.92322520  0.52924004  0.74409286  1
  N  N80  1  0.07677253  0.47075686  0.25591019  1
  O  O81  1  0.74332038  0.74045405  0.05067816  1
  O  O82  1  0.25667470  0.25956732  0.94932771  1
  O  O83  1  0.58930149  0.86849363  0.12424179  1
  O  O84  1  0.41069840  0.13151918  0.87577557  1
  O  O85  1  0.59285868  0.82194671  0.77611318  1
  O  O86  1  0.40713643  0.17806245  0.22389369  1
  O  O87  1  0.39037517  0.87514417  0.85330510  1
  O  O88  1  0.60961286  0.12486164  0.14669751  1
  O  O89  1  0.73978766  0.01061066  0.96850222  1
  O  O90  1  0.26020525  0.98939660  0.03149579  1
  O  O91  1  0.93312445  0.12786945  0.93282336  1
  O  O92  1  0.06686016  0.87214080  0.06717095  1
  O  O93  1  0.90353224  0.67366693  0.88253415  1
  O  O94  1  0.09646479  0.32633906  0.11746056  1
  O  O95  1  0.90431707  0.92736369  0.79151825  1
  O  O96  1  0.09567194  0.07264355  0.20847520  1
