# generated using pymatgen
data_CoNiH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40377087
_cell_length_b   9.52063097
_cell_length_c   9.52412575
_cell_angle_alpha   81.78655947
_cell_angle_beta   75.39948179
_cell_angle_gamma   75.79701199
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiH20C28(N3O2)4
_chemical_formula_sum   'Co1 Ni1 H20 C28 N12 O8'
_cell_volume   796.94611183
_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  0.74045487  0.94755871  0.71444507  1
  Ni  Ni1  1  0.23880875  0.71177125  0.94915911  1
  H  H2  1  0.38932482  0.01304144  0.61168367  1
  H  H3  1  0.89014965  0.61291892  0.02462384  1
  H  H4  1  0.59693793  0.49088891  0.77763626  1
  H  H5  1  0.10507094  0.77182989  0.48665970  1
  H  H6  1  0.87190428  0.87655546  0.17571931  1
  H  H7  1  0.36754729  0.17650591  0.88247615  1
  H  H8  1  0.07753221  0.30920594  0.24880254  1
  H  H9  1  0.57905592  0.24564745  0.29587341  1
  H  H10  1  0.59105382  0.92458067  0.08367294  1
  H  H11  1  0.08674753  0.08853229  0.92459255  1
  H  H12  1  0.96004150  0.11222706  0.40805802  1
  H  H13  1  0.46581489  0.40884660  0.10078203  1
  H  H14  1  0.78784978  0.62998921  0.53783792  1
  H  H15  1  0.29424033  0.53248725  0.62130372  1
  H  H16  1  0.21198879  0.02999712  0.45004014  1
  H  H17  1  0.71054599  0.45582898  0.03208551  1
  H  H18  1  0.31168330  0.98375118  0.18632402  1
  H  H19  1  0.80727326  0.19266883  0.98193789  1
  H  H20  1  0.98567849  0.56763533  0.30877621  1
  H  H21  1  0.48966492  0.30322073  0.55530169  1
  C  C22  1  0.43016994  0.99381474  0.49714011  1
  C  C23  1  0.92990383  0.49929466  0.00243298  1
  C  C24  1  0.44082154  0.90078355  0.86618685  1
  C  C25  1  0.94367234  0.86658124  0.90182182  1
  C  C26  1  0.54494412  0.75011782  0.83297498  1
  C  C27  1  0.04523542  0.82257153  0.75226975  1
  C  C28  1  0.98889508  0.33602064  0.34628262  1
  C  C29  1  0.49232644  0.34363587  0.32414178  1
  C  C30  1  0.54380892  0.94285395  0.19772209  1
  C  C31  1  0.03996249  0.20185887  0.94510122  1
  C  C32  1  0.82093439  0.26209613  0.56219830  1
  C  C33  1  0.32704500  0.56151456  0.25300215  1
  C  C34  1  0.92896412  0.22480835  0.43498417  1
  C  C35  1  0.43405687  0.43438175  0.21392971  1
  C  C36  1  0.82823908  0.51923890  0.50657749  1
  C  C37  1  0.33457818  0.50237201  0.50995849  1
  C  C38  1  0.77175696  0.40692647  0.59570824  1
  C  C39  1  0.27891444  0.59273356  0.39874398  1
  C  C40  1  0.63931598  0.93173020  0.29132084  1
  C  C41  1  0.13668107  0.29365365  0.93791245  1
  C  C42  1  0.33324872  0.00336278  0.40520740  1
  C  C43  1  0.83153409  0.40959155  0.00708462  1
  C  C44  1  0.38876502  0.97815261  0.25667056  1
  C  C45  1  0.88521874  0.26179277  0.97922213  1
  C  C46  1  0.93829537  0.48197026  0.38044572  1
  C  C47  1  0.44285600  0.37621634  0.47076910  1
  C  C48  1  0.58518218  0.95735575  0.43816757  1
  C  C49  1  0.08468003  0.43925018  0.96744972  1
  N  N50  1  0.83391719  0.91548022  0.39330815  1
  N  N51  1  0.33336981  0.39173137  0.92612285  1
  N  N52  1  0.64685035  0.26639096  0.76759743  1
  N  N53  1  0.15369208  0.76644127  0.26202148  1
  N  N54  1  0.71127155  0.94435676  0.49566585  1
  N  N55  1  0.21191004  0.49401595  0.95831258  1
  N  N56  1  0.66569410  0.40168765  0.72363130  1
  N  N57  1  0.17449890  0.72134332  0.39612454  1
  N  N58  1  0.74026062  0.18032937  0.67306765  1
  N  N59  1  0.24738327  0.67411691  0.17356675  1
  N  N60  1  0.79266428  0.90442619  0.27170376  1
  N  N61  1  0.29004684  0.27172390  0.91297590  1
  O  O62  1  0.48270074  0.64157919  0.87083209  1
  O  O63  1  0.98435674  0.86035216  0.64364702  1
  O  O64  1  0.50035651  0.01036774  0.82369657  1
  O  O65  1  1.00169219  0.82190173  0.01172156  1
  O  O66  1  0.30523529  0.90415405  0.93107301  1
  O  O67  1  0.81229041  0.94153729  0.90397650  1
  O  O68  1  0.68063532  0.74647616  0.76926932  1
  O  O69  1  0.17844000  0.75257582  0.74982885  1
