# generated using pymatgen
data_Co2H26C36S(N2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09123649
_cell_length_b   11.23439571
_cell_length_c   13.25429441
_cell_angle_alpha   107.33940570
_cell_angle_beta   107.77255160
_cell_angle_gamma   90.01246264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2H26C36S(N2O5)2
_chemical_formula_sum   'Co2 H26 C36 S1 N4 O10'
_cell_volume   1089.65505230
_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  0.86207365  0.07409627  0.62427497  1
  Co  Co1  1  0.23782753  0.92596723  0.37576310  1
  H  H2  1  0.69298458  0.79030707  0.94804068  1
  H  H3  1  0.74488374  0.20958622  0.05190940  1
  H  H4  1  0.42448335  0.69458744  0.78027259  1
  H  H5  1  0.64413592  0.30524042  0.21968276  1
  H  H6  1  0.33570706  0.79511088  0.63126022  1
  H  H7  1  0.70450603  0.20473069  0.36870860  1
  H  H8  1  0.68833219  0.81020686  0.45749424  1
  H  H9  1  0.23071138  0.18986697  0.54252037  1
  H  H10  1  0.67390325  0.59135449  0.46130120  1
  H  H11  1  0.21241944  0.40868666  0.53863319  1
  H  H12  1  0.04839674  0.71840154  0.79289739  1
  H  H13  1  0.25572106  0.28161828  0.20714782  1
  H  H14  1  0.04612874  0.93223971  0.77846049  1
  H  H15  1  0.26792225  0.06781862  0.22168658  1
  H  H16  1  0.10826404  0.30736998  0.74274007  1
  H  H17  1  0.36556210  0.69273053  0.25724283  1
  H  H18  1  0.12386738  0.52940599  0.74378245  1
  H  H19  1  0.38018906  0.47073230  0.25621374  1
  H  H20  1  0.58897949  0.45585779  0.52777995  1
  H  H21  1  0.06147815  0.54410616  0.47228814  1
  H  H22  1  0.59535780  0.23609012  0.53381484  1
  H  H23  1  0.06174127  0.76388223  0.46622414  1
  H  H24  1  0.19682928  0.03547081  0.61792365  1
  H  H25  1  0.57900123  0.96460946  0.38209811  1
  H  H26  1  0.18924788  0.09586967  0.74094155  1
  H  H27  1  0.44830699  0.90423168  0.25907166  1
  C  C28  1  0.54315848  0.94556966  0.71285385  1
  C  C29  1  0.83027017  0.05431034  0.28709296  1
  C  C30  1  0.68345565  0.00376551  0.80874058  1
  C  C31  1  0.87470257  0.99615317  0.19121832  1
  C  C32  1  0.73670883  0.94255138  0.88934763  1
  C  C33  1  0.84734630  0.05739400  0.11062594  1
  C  C34  1  0.64671873  0.83181240  0.88085119  1
  C  C35  1  0.76580088  0.16808210  0.11910173  1
  C  C36  1  0.50002656  0.77942035  0.78851786  1
  C  C37  1  0.71143053  0.22042954  0.21142420  1
  C  C38  1  0.44889222  0.83619623  0.70497350  1
  C  C39  1  0.74387896  0.16365026  0.29496793  1
  C  C40  1  0.48784862  0.99636796  0.61582809  1
  C  C41  1  0.87205944  0.00355437  0.38414633  1
  C  C42  1  0.78137772  0.12994933  0.83079233  1
  C  C43  1  0.95063865  0.87001877  0.16915345  1
  C  C44  1  0.76832148  0.78699935  0.53009089  1
  C  C45  1  0.23816436  0.21307837  0.46993607  1
  C  C46  1  0.75647104  0.66529310  0.53335915  1
  C  C47  1  0.22308521  0.33476887  0.46662711  1
  C  C48  1  0.86086073  0.63689758  0.62773558  1
  C  C49  1  0.23324361  0.36314793  0.37226918  1
  C  C50  1  0.97180283  0.73439331  0.71563758  1
  C  C51  1  0.25635484  0.26565036  0.28441584  1
  C  C52  1  0.96963987  0.85462762  0.70776587  1
  C  C53  1  0.26203400  0.14543687  0.29233304  1
  C  C54  1  0.99686219  0.34332210  0.69515437  1
  C  C55  1  0.30179230  0.65676237  0.30485149  1
  C  C56  1  0.00368846  0.46745917  0.69729507  1
  C  C57  1  0.30648945  0.53262611  0.30270014  1
  C  C58  1  0.85752709  0.50925253  0.63295371  1
  C  C59  1  0.22471345  0.49078213  0.36704420  1
  C  C60  1  0.70815294  0.42431634  0.57261382  1
  C  C61  1  0.13572398  0.57567457  0.42741023  1
  C  C62  1  0.71043593  0.30299485  0.57801126  1
  C  C63  1  0.13257851  0.69699724  0.42201346  1
  S  S64  1  0.93149321  0.00001823  0.99999845  1
  N  N65  1  0.87340347  0.88079585  0.61569438  1
  N  N66  1  0.25773952  0.11928548  0.38439072  1
  N  N67  1  0.85445820  0.26165315  0.63399916  1
  N  N68  1  0.22058904  0.73839327  0.36603030  1
  O  O69  1  0.59279593  0.06257730  0.59637619  1
  O  O70  1  -0.00363981  0.93728158  0.40352901  1
  O  O71  1  0.32733660  0.96598314  0.55291442  1
  O  O72  1  0.77460655  0.03402541  0.44713550  1
  O  O73  1  0.91428991  0.12298663  0.79447280  1
  O  O74  1  0.11987892  0.87705066  0.20553340  1
  O  O75  1  0.73004337  0.22556747  0.88291834  1
  O  O76  1  0.84721608  0.77436785  0.11695435  1
  O  O77  1  0.13452621  0.09466445  0.66417317  1
  O  O78  1  0.47036191  0.90546980  0.33584871  1
