# generated using pymatgen
data_CoNiH24C20(N3O4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32731804
_cell_length_b   11.84675708
_cell_length_c   13.32902935
_cell_angle_alpha   116.04611675
_cell_angle_beta   86.94995882
_cell_angle_gamma   90.02255776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiH24C20(N3O4)4
_chemical_formula_sum   'Co1 Ni1 H24 C20 N12 O16'
_cell_volume   1037.70652979
_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
  Ni  Ni0  1  0.49996982  0.50003835  0.50002724  1
  Co  Co1  1  0.99965527  1.00021227  0.50017117  1
  H  H2  1  0.44946325  0.28973648  0.57829700  1
  H  H3  1  0.05283361  0.70954721  0.42086029  1
  H  H4  1  0.55069354  0.71027635  0.42167965  1
  H  H5  1  0.95082199  0.29034174  0.57879849  1
  H  H6  1  0.45395729  0.26551244  0.75152286  1
  H  H7  1  0.04331250  0.51327143  0.24911889  1
  H  H8  1  0.54600073  0.73448419  0.24846058  1
  H  H9  1  0.95460533  0.48651639  0.75097860  1
  H  H10  1  0.53667701  0.66596810  0.92890580  1
  H  H11  1  0.96093487  0.73572429  0.06921637  1
  H  H12  1  0.46327343  0.33403169  0.07113273  1
  H  H13  1  0.03830083  0.26428737  0.93097688  1
  H  H14  1  0.52961748  0.67529713  0.74766246  1
  H  H15  1  0.97227934  0.92536603  0.24888381  1
  H  H16  1  0.47031799  0.32474712  0.25239611  1
  H  H17  1  0.03173356  0.07470533  0.75098559  1
  H  H18  1  0.39313880  0.74705518  0.59475463  1
  H  H19  1  0.10625639  0.15243252  0.40383852  1
  H  H20  1  0.60645969  0.25298943  0.40526229  1
  H  H21  1  0.89289792  0.84750557  0.59594983  1
  H  H22  1  0.21263029  0.67122781  0.59300090  1
  H  H23  1  0.28597557  0.07755950  0.40468353  1
  H  H24  1  0.78715769  0.32875251  0.40707757  1
  H  H25  1  0.71264548  0.92183236  0.59482869  1
  C  C26  1  0.46971230  0.37231649  0.65646863  1
  C  C27  1  0.03130248  0.71430349  0.34258881  1
  C  C28  1  0.53033188  0.62769707  0.34353053  1
  C  C29  1  0.97049149  0.28558003  0.65725660  1
  C  C30  1  0.47030209  0.35755692  0.75359979  1
  C  C31  1  0.02825843  0.60289916  0.24623284  1
  C  C32  1  0.52966039  0.64244570  0.24639696  1
  C  C33  1  0.97115162  0.39694725  0.75378401  1
  C  C34  1  0.49278493  0.46376071  0.85493742  1
  C  C35  1  0.00526377  0.60816766  0.14468585  1
  C  C36  1  0.50707843  0.53624310  0.14507787  1
  C  C37  1  0.99357372  0.39172527  0.85540511  1
  C  C38  1  0.51627410  0.58076858  0.85311684  1
  C  C39  1  0.98259269  0.72631234  0.14524289  1
  C  C40  1  0.48364741  0.41923921  0.14691650  1
  C  C41  1  0.01749038  0.27366781  0.85484400  1
  C  C42  1  0.51387836  0.58593773  0.75159867  1
  C  C43  1  0.98713299  0.83255029  0.24614404  1
  C  C44  1  0.48606444  0.41409296  0.24844143  1
  C  C45  1  0.01503337  0.16744191  0.75381644  1
  N  N46  1  0.49176595  0.48351466  0.65351037  1
  N  N47  1  0.01033260  0.82792384  0.34449056  1
  N  N48  1  0.50821482  0.51652256  0.34651996  1
  N  N49  1  0.99203403  0.17203094  0.65543041  1
  N  N50  1  0.49128885  0.44920034  0.95598192  1
  N  N51  1  0.00568085  0.49314982  0.04447692  1
  N  N52  1  0.50848164  0.55080470  0.04404098  1
  N  N53  1  0.99160070  0.50670635  0.95569223  1
  N  N54  1  0.86754722  0.62535295  0.59022439  1
  N  N55  1  0.62970780  0.03644552  0.40871971  1
  N  N56  1  0.13242734  0.37489888  0.40980553  1
  N  N57  1  0.36994257  0.96363578  0.59139827  1
  O  O58  1  0.71720323  0.62980648  0.54647562  1
  O  O59  1  0.77902499  0.08666238  0.45197365  1
  O  O60  1  0.28263514  0.37031779  0.45361312  1
  O  O61  1  0.21973233  0.91416100  0.54907206  1
  O  O62  1  0.90738439  0.53717169  0.61197961  1
  O  O63  1  0.59421830  0.92605119  0.38718200  1
  O  O64  1  0.09289065  0.46313790  0.38806711  1
  O  O65  1  0.40672858  0.07364298  0.61223188  1
  O  O66  1  0.97526450  0.71703868  0.61001929  1
  O  O67  1  0.51862954  0.10664619  0.38879271  1
  O  O68  1  0.02455357  0.28325462  0.38991200  1
  O  O69  1  0.48062017  0.89306879  0.61117412  1
  O  O70  1  0.34775142  0.66415644  0.58555275  1
  O  O71  1  0.15064703  0.07908822  0.41431336  1
  O  O72  1  0.65202633  0.33584398  0.41449022  1
  O  O73  1  0.84803010  0.92069773  0.58538312  1
