# generated using pymatgen
data_CoNiH24C20(N3O4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32739533
_cell_length_b   11.84678516
_cell_length_c   13.33068271
_cell_angle_alpha   116.06182068
_cell_angle_beta   86.95537036
_cell_angle_gamma   90.01143160
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiH24C20(N3O4)4
_chemical_formula_sum   'Co1 Ni1 H24 C20 N12 O16'
_cell_volume   1037.70979032
_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  0.50007624  0.50005510  0.50003825  1
  Ni  Ni1  1  0.99986362  0.99999990  0.50001699  1
  H  H2  1  0.44986701  0.28917290  0.57896555  1
  H  H3  1  0.05311626  0.71074549  0.42158528  1
  H  H4  1  0.55027332  0.71082586  0.42102020  1
  H  H5  1  0.95035079  0.28924591  0.57812325  1
  H  H6  1  0.45389199  0.26502781  0.75198849  1
  H  H7  1  0.04334374  0.51428482  0.24967111  1
  H  H8  1  0.54604209  0.73495365  0.24798170  1
  H  H9  1  0.95471371  0.48554489  0.75048476  1
  H  H10  1  0.53664532  0.66572739  0.92965090  1
  H  H11  1  0.96099950  0.73670398  0.06998474  1
  H  H12  1  0.46329877  0.33426648  0.07038697  1
  H  H13  1  0.03832676  0.26325710  0.93016863  1
  H  H14  1  0.53026217  0.67555775  0.74894818  1
  H  H15  1  0.97289176  0.92639566  0.25019017  1
  H  H16  1  0.46968274  0.32446734  0.25109247  1
  H  H17  1  0.03105760  0.07369032  0.74962860  1
  H  H18  1  0.39258959  0.74789631  0.59529781  1
  H  H19  1  0.10585166  0.15204058  0.40435020  1
  H  H20  1  0.60705131  0.25203930  0.40473254  1
  H  H21  1  0.89342742  0.84800685  0.59539231  1
  H  H22  1  0.21284879  0.67193588  0.59408181  1
  H  H23  1  0.28630399  0.07781508  0.40577032  1
  H  H24  1  0.78685704  0.32793524  0.40593769  1
  H  H25  1  0.71251131  0.92169890  0.59369727  1
  C  C26  1  0.46964107  0.37195887  0.65707379  1
  C  C27  1  0.03102103  0.71536092  0.34332277  1
  C  C28  1  0.53040706  0.62804563  0.34292393  1
  C  C29  1  0.97050048  0.28455839  0.65656657  1
  C  C30  1  0.47020822  0.35705913  0.75407813  1
  C  C31  1  0.02814797  0.60394200  0.24680234  1
  C  C32  1  0.52973844  0.64293392  0.24591745  1
  C  C33  1  0.97120448  0.39593205  0.75326818  1
  C  C34  1  0.49272406  0.46346955  0.85524271  1
  C  C35  1  0.00525742  0.60879445  0.14503325  1
  C  C36  1  0.50713560  0.53652687  0.14477118  1
  C  C37  1  0.99357968  0.39111584  0.85509698  1
  C  C38  1  0.51622296  0.58061838  0.85383760  1
  C  C39  1  0.98254541  0.72722330  0.14603203  1
  C  C40  1  0.48370105  0.41938222  0.14619476  1
  C  C41  1  0.01746353  0.27275731  0.85405386  1
  C  C42  1  0.51390370  0.58593722  0.75243677  1
  C  C43  1  0.98699054  0.83341148  0.24708251  1
  C  C44  1  0.48605750  0.41408162  0.24760047  1
  C  C45  1  0.01493165  0.16660529  0.75285375  1
  N  N46  1  0.49124396  0.48337246  0.65456914  1
  N  N47  1  0.00950130  0.82918809  0.34564235  1
  N  N48  1  0.50880246  0.51664691  0.34545426  1
  N  N49  1  0.99241641  0.17076879  0.65426692  1
  N  N50  1  0.49126232  0.44905061  0.95607155  1
  N  N51  1  0.00572924  0.49335305  0.04457290  1
  N  N52  1  0.50850925  0.55094726  0.04394655  1
  N  N53  1  0.99163164  0.50653352  0.95564484  1
  N  N54  1  0.87048172  0.62732090  0.59097470  1
  N  N55  1  0.63275246  0.03511293  0.40949051  1
  N  N56  1  0.12953636  0.37297535  0.40904956  1
  N  N57  1  0.36696406  0.96491349  0.59064637  1
  O  O58  1  0.72087460  0.63497019  0.54819526  1
  O  O59  1  0.78273926  0.08307812  0.45381878  1
  O  O60  1  0.27904624  0.36518004  0.45183307  1
  O  O61  1  0.21599041  0.91757456  0.54746505  1
  O  O62  1  0.90649251  0.53783266  0.61187639  1
  O  O63  1  0.59347855  0.92516403  0.38701170  1
  O  O64  1  0.09371007  0.46255625  0.38824494  1
  O  O65  1  0.40729811  0.07449099  0.61232527  1
  O  O66  1  0.98146237  0.71737078  0.61109017  1
  O  O67  1  0.52495658  0.10733247  0.38993154  1
  O  O68  1  0.01842163  0.28295344  0.38882755  1
  O  O69  1  0.47460154  0.89246575  0.61002680  1
  O  O70  1  0.34822896  0.66403162  0.58440789  1
  O  O71  1  0.15121401  0.07801352  0.41315168  1
  O  O72  1  0.65148117  0.33589423  0.41562341  1
  O  O73  1  0.84764609  0.92190797  0.58654517  1
