# generated using pymatgen
data_CoNiH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40371696
_cell_length_b   9.52076230
_cell_length_c   9.52456146
_cell_angle_alpha   81.78551962
_cell_angle_beta   75.39953306
_cell_angle_gamma   75.79717278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiH20C28(N3O2)4
_chemical_formula_sum   'Co1 Ni1 H20 C28 N12 O8'
_cell_volume   796.98835978
_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  0.73922429  0.94834235  0.71540985  1
  Co  Co1  1  0.23936798  0.71192449  0.94848062  1
  H  H2  1  0.38943459  0.01336294  0.61205718  1
  H  H3  1  0.88996270  0.61264248  0.02429786  1
  H  H4  1  0.59790854  0.49064415  0.77799987  1
  H  H5  1  0.10444188  0.77137064  0.48633768  1
  H  H6  1  0.87147321  0.87723013  0.17568483  1
  H  H7  1  0.36779273  0.17701451  0.88170577  1
  H  H8  1  0.07726751  0.30877209  0.24922018  1
  H  H9  1  0.57951785  0.24516001  0.29631677  1
  H  H10  1  0.59209843  0.92478084  0.08389313  1
  H  H11  1  0.08597686  0.08840858  0.92435431  1
  H  H12  1  0.95991744  0.11155240  0.40809317  1
  H  H13  1  0.46586222  0.40868479  0.10130990  1
  H  H14  1  0.78744294  0.62937430  0.53882308  1
  H  H15  1  0.29458859  0.53170225  0.62171166  1
  H  H16  1  0.21232174  0.02996481  0.45021954  1
  H  H17  1  0.71007221  0.45576723  0.03185861  1
  H  H18  1  0.31215091  0.98381769  0.18641384  1
  H  H19  1  0.80682339  0.19243840  0.98165542  1
  H  H20  1  0.98535979  0.56721945  0.30928885  1
  H  H21  1  0.49025505  0.30277444  0.55581247  1
  C  C22  1  0.43038393  0.99416123  0.49749871  1
  C  C23  1  0.92958243  0.49894990  0.00221982  1
  C  C24  1  0.44522552  0.90065975  0.86415892  1
  C  C25  1  0.94040183  0.86824544  0.90235662  1
  C  C26  1  0.54901974  0.74953811  0.83156376  1
  C  C27  1  0.04011324  0.82459787  0.75210876  1
  C  C28  1  0.98865323  0.33544494  0.34669746  1
  C  C29  1  0.49271414  0.34305923  0.32464589  1
  C  C30  1  0.54414605  0.94309704  0.19787872  1
  C  C31  1  0.03939703  0.20172146  0.94486582  1
  C  C32  1  0.82072214  0.26116636  0.56251505  1
  C  C33  1  0.32752731  0.56100774  0.25376137  1
  C  C34  1  0.92881226  0.22407174  0.43523592  1
  C  C35  1  0.43434470  0.43397329  0.21452117  1
  C  C36  1  0.82809613  0.51876357  0.50698190  1
  C  C37  1  0.33488382  0.50171850  0.51037002  1
  C  C38  1  0.77205772  0.40621186  0.59572657  1
  C  C39  1  0.27897761  0.59242684  0.39939851  1
  C  C40  1  0.63916435  0.93185219  0.29179511  1
  C  C41  1  0.13658322  0.29313926  0.93758867  1
  C  C42  1  0.33359561  0.00364696  0.40542766  1
  C  C43  1  0.83102453  0.40943867  0.00680539  1
  C  C44  1  0.38907881  0.97847654  0.25686081  1
  C  C45  1  0.88471431  0.26163570  0.97891926  1
  C  C46  1  0.93806881  0.48146378  0.38087398  1
  C  C47  1  0.44322514  0.37563046  0.47124198  1
  C  C48  1  0.58536285  0.95748112  0.43866635  1
  C  C49  1  0.08428645  0.43866959  0.96752194  1
  N  N50  1  0.83377030  0.91591290  0.39332239  1
  N  N51  1  0.33322383  0.39166533  0.92631333  1
  N  N52  1  0.64674764  0.26634735  0.76743969  1
  N  N53  1  0.15410826  0.76622205  0.26191404  1
  N  N54  1  0.71123271  0.94501659  0.49594571  1
  N  N55  1  0.21148729  0.49366624  0.95866173  1
  N  N56  1  0.66584613  0.40130973  0.72357116  1
  N  N57  1  0.17480977  0.72121908  0.39625729  1
  N  N58  1  0.73967838  0.17983051  0.67294355  1
  N  N59  1  0.24824882  0.67403531  0.17388512  1
  N  N60  1  0.79247569  0.90458700  0.27191824  1
  N  N61  1  0.28993004  0.27160098  0.91301347  1
  O  O62  1  0.48746729  0.64056934  0.87098405  1
  O  O63  1  0.97671905  0.86235263  0.64489979  1
  O  O64  1  0.50589469  0.00952272  0.81994269  1
  O  O65  1  0.99906405  0.82386056  0.01195901  1
  O  O66  1  0.30964215  0.90598389  0.92991678  1
  O  O67  1  0.80876643  0.94273071  0.90498589  1
  O  O68  1  0.68428934  0.74674011  0.76720877  1
  O  O69  1  0.17381626  0.75498676  0.74712822  1
