# generated using pymatgen
data_CoH16C26(N4O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05301991
_cell_length_b   7.32035209
_cell_length_c   13.72528449
_cell_angle_alpha   78.74725015
_cell_angle_beta   84.17606687
_cell_angle_gamma   68.45705432
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoH16C26(N4O)2
_chemical_formula_sum   'Co1 H16 C26 N8 O2'
_cell_volume   646.12366984
_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  0.00000312  0.99999810  0.99999950  1
  H  H1  1  0.80326347  0.40924726  0.98930764  1
  H  H2  1  0.19675844  0.59074977  0.01069428  1
  H  H3  1  0.88657888  0.78663022  0.66660768  1
  H  H4  1  0.11342318  0.21335781  0.33339181  1
  H  H5  1  0.84130966  0.68912496  0.51098359  1
  H  H6  1  0.15868335  0.31087404  0.48901350  1
  H  H7  1  0.18851540  0.88841762  0.56961606  1
  H  H8  1  0.81147746  0.11159070  0.43038646  1
  H  H9  1  0.23234800  0.98978825  0.72392689  1
  H  H10  1  0.76765520  0.01021308  0.27607639  1
  H  H11  1  0.93919508  0.53885758  0.83577540  1
  H  H12  1  0.06082129  0.46112611  0.16422305  1
  H  H13  1  0.72136355  0.47900837  0.81801226  1
  H  H14  1  0.27863217  0.52100385  0.18199019  1
  H  H15  1  0.97312630  0.30784043  0.79975271  1
  H  H16  1  0.02685720  0.69215331  0.20024465  1
  C  C17  1  0.56270553  0.88921916  0.70933090  1
  C  C18  1  0.43729605  0.11077908  0.29066886  1
  C  C19  1  0.73377405  0.80784262  0.64561678  1
  C  C20  1  0.26622443  0.19215648  0.35438212  1
  C  C21  1  0.70890046  0.75034615  0.55926449  1
  C  C22  1  0.29109309  0.24965563  0.44073409  1
  C  C23  1  0.51201069  0.77375176  0.53096997  1
  C  C24  1  0.48798152  0.22625537  0.46902928  1
  C  C25  1  0.34137223  0.86306815  0.59196103  1
  C  C26  1  0.65862405  0.13693739  0.40804032  1
  C  C27  1  0.36599676  0.91796623  0.67890804  1
  C  C28  1  0.63400527  0.08203133  0.32109453  1
  C  C29  1  0.58015153  0.94207055  0.80265513  1
  C  C30  1  0.41985545  0.05792773  0.19734358  1
  C  C31  1  0.76262523  0.94303667  0.83500582  1
  C  C32  1  0.23738220  0.05695986  0.16499372  1
  C  C33  1  0.41414084  0.97117897  0.87121718  1
  C  C34  1  0.58587133  0.02881110  0.12878591  1
  C  C35  1  0.48256596  0.71141649  0.44308585  1
  C  C36  1  0.51742061  0.28859602  0.55691411  1
  C  C37  1  0.64574269  0.61777162  0.38087512  1
  C  C38  1  0.35425052  0.38223620  0.61912628  1
  C  C39  1  0.28623198  0.74012568  0.41560272  1
  C  C40  1  0.71375685  0.25988543  0.58439489  1
  C  C41  1  0.87790605  0.41882991  0.84408696  1
  C  C42  1  0.12209235  0.58116623  0.15591261  1
  N  N43  1  0.90777437  0.94453026  0.87012231  1
  N  N44  1  0.09223305  0.05546597  0.12987643  1
  N  N45  1  0.27359311  0.98909134  0.92722768  1
  N  N46  1  0.72641938  0.01089833  0.07277665  1
  N  N47  1  0.78049080  0.53889994  0.32862454  1
  N  N48  1  0.21949935  0.46111203  0.67137454  1
  N  N49  1  0.12228068  0.76315439  0.39298068  1
  N  N50  1  0.87771005  0.23685653  0.60701550  1
  O  O51  1  0.88724588  0.31816599  0.94585689  1
  O  O52  1  0.11275184  0.68182627  0.05414198  1
