# generated using pymatgen
data_CoH20C18S2(N2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32927478
_cell_length_b   10.22683584
_cell_length_c   10.50714565
_cell_angle_alpha   107.04647911
_cell_angle_beta   99.85757527
_cell_angle_gamma   103.12487214
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoH20C18S2(N2O3)2
_chemical_formula_sum   'Co1 H20 C18 S2 N4 O6'
_cell_volume   515.51818303
_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  0.49999775  0.49999796  -0.00000039  1
  H  H1  1  0.36325023  0.86392452  0.27641578  1
  H  H2  1  0.63674734  0.13607677  0.72358270  1
  H  H3  1  0.25083160  0.08267333  0.38325389  1
  H  H4  1  0.74916694  0.91732807  0.61674466  1
  H  H5  1  0.72161134  0.31063699  0.19282325  1
  H  H6  1  0.27839430  0.68936546  0.80717811  1
  H  H7  1  0.87199799  0.10245201  0.08662337  1
  H  H8  1  0.12800172  0.89754907  0.91337638  1
  H  H9  1  0.17863439  0.28673096  0.35661431  1
  H  H10  1  0.82136999  0.71327050  0.64338813  1
  H  H11  1  0.35721036  0.37811200  0.26366982  1
  H  H12  1  0.64279323  0.62189127  0.73633251  1
  H  H13  1  0.76140801  0.47756239  0.46672668  1
  H  H14  1  0.23859646  0.52243970  0.53327572  1
  H  H15  1  0.58019020  0.38749704  0.55695956  1
  H  H16  1  0.41981293  0.61250456  0.44304247  1
  H  H17  1  0.88515934  0.67440154  0.96833803  1
  H  H18  1  0.11483560  0.32559639  0.03166235  1
  H  H19  1  0.95537737  0.52708758  0.88971032  1
  H  H20  1  0.04462204  0.47291095  0.11029358  1
  C  C21  1  0.67803225  0.82597983  0.09211755  1
  C  C22  1  0.32196395  0.17401942  0.90788093  1
  C  C23  1  0.62504433  0.96182683  0.16900374  1
  C  C24  1  0.37495435  0.03817316  0.83099476  1
  C  C25  1  0.45414473  0.96032684  0.25646447  1
  C  C26  1  0.54585396  0.03967421  0.74353416  1
  C  C27  1  0.38512302  0.08138187  0.31585460  1
  C  C28  1  0.61487745  0.91861930  0.68414452  1
  C  C29  1  0.65455404  0.20995964  0.21032083  1
  C  C30  1  0.34544989  0.79004195  0.78967905  1
  C  C31  1  0.73500476  0.09214326  0.15208102  1
  C  C32  1  0.26499556  0.90785654  0.84791831  1
  C  C33  1  0.37745811  0.32812539  0.34253279  1
  C  C34  1  0.62254599  0.67187674  0.65746871  1
  C  C35  1  0.55960188  0.43787616  0.47802559  1
  C  C36  1  0.44040231  0.56212612  0.52197673  1
  C  C37  1  0.12175092  0.34704872  0.71081624  1
  C  C38  1  0.87824854  0.65294830  0.28917892  1
  S  S39  1  1.00369986  0.20625611  0.57560919  1
  S  S40  1  -0.00370559  0.79374661  0.42438758  1
  N  N41  1  0.20411885  0.45180871  0.81227354  1
  N  N42  1  0.79587631  0.54818656  0.18772656  1
  N  N43  1  0.47267439  0.20270019  0.28712308  1
  N  N44  1  0.52732943  0.79730170  0.71287671  1
  O  O45  1  0.49546439  0.71066186  0.07054930  1
  O  O46  1  0.50453722  0.28933728  0.92945523  1
  O  O47  1  0.89066547  0.83649934  0.05281799  1
  O  O48  1  0.10932578  0.16350046  0.94717550  1
  O  O49  1  0.81134625  0.56860730  0.91329157  1
  O  O50  1  0.18865107  0.43139007  0.08671185  1
