# generated using pymatgen
data_NiH12C10(N3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32600167
_cell_length_b   11.84711869
_cell_length_c   13.32710507
_cell_angle_alpha   116.05645002
_cell_angle_beta   86.94827906
_cell_angle_gamma   90.01685728
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH12C10(N3O4)2
_chemical_formula_sum   'Ni2 H24 C20 N12 O16'
_cell_volume   1037.30525286
_cell_formula_units_Z   2
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  0.49991036  0.50004312  0.50004405  1
  Ni  Ni1  1  1.00004404  1.00028357  0.50018254  1
  H  H2  1  0.44923470  0.28849627  0.57912830  1
  H  H3  1  0.05386468  0.70829839  0.42058167  1
  H  H4  1  0.55080860  0.71151463  0.42087292  1
  H  H5  1  0.95027616  0.29170809  0.57905412  1
  H  H6  1  0.45360690  0.26674321  0.75240558  1
  H  H7  1  0.04333602  0.51442297  0.24868134  1
  H  H8  1  0.54636229  0.73324803  0.24759078  1
  H  H9  1  0.95399669  0.48532616  0.75140529  1
  H  H10  1  0.53751823  0.66655163  0.92824746  1
  H  H11  1  0.95962082  0.73774467  0.07071384  1
  H  H12  1  0.46244784  0.33345118  0.07177187  1
  H  H13  1  0.03914182  0.26224216  0.92945136  1
  H  H14  1  0.53082630  0.67606808  0.74782618  1
  H  H15  1  0.97217155  0.92681564  0.24971319  1
  H  H16  1  0.46911818  0.32397536  0.25222480  1
  H  H17  1  0.03235510  0.07322505  0.75004246  1
  H  H18  1  0.39626893  0.74759921  0.59494511  1
  H  H19  1  0.10270152  0.15251675  0.40407317  1
  H  H20  1  0.60351108  0.25241239  0.40505234  1
  H  H21  1  0.89609832  0.84756458  0.59574701  1
  H  H22  1  0.21449087  0.67299559  0.59465220  1
  H  H23  1  0.28410212  0.07761000  0.40400055  1
  H  H24  1  0.78525825  0.32717126  0.40542894  1
  H  H25  1  0.71408392  0.92152899  0.59580886  1
  C  C26  1  0.46971055  0.37238473  0.65647385  1
  C  C27  1  0.03176690  0.71527797  0.34319106  1
  C  C28  1  0.53027492  0.62762279  0.34353328  1
  C  C29  1  0.97075827  0.28464247  0.65656978  1
  C  C30  1  0.47032191  0.35843805  0.75396462  1
  C  C31  1  0.02824694  0.60433100  0.24641265  1
  C  C32  1  0.52966169  0.64155150  0.24603562  1
  C  C33  1  0.97148821  0.39552989  0.75356291  1
  C  C34  1  0.49325724  0.46460950  0.85513830  1
  C  C35  1  0.00415055  0.60926851  0.14486797  1
  C  C36  1  0.50665384  0.53539223  0.14487081  1
  C  C37  1  0.99447425  0.39061583  0.85522147  1
  C  C38  1  0.51682095  0.58122617  0.85267623  1
  C  C39  1  0.98210415  0.72793228  0.14643481  1
  C  C40  1  0.48314646  0.41877697  0.14734322  1
  C  C41  1  0.01831344  0.27202806  0.85354040  1
  C  C42  1  0.51423985  0.58624198  0.75104193  1
  C  C43  1  0.98725048  0.83412758  0.24746954  1
  C  C44  1  0.48570581  0.41378573  0.24898895  1
  C  C45  1  0.01557220  0.16584475  0.75234938  1
  N  N46  1  0.49222390  0.48345644  0.65301059  1
  N  N47  1  0.00900521  0.82954712  0.34612429  1
  N  N48  1  0.50768555  0.51657719  0.34702451  1
  N  N49  1  0.99278951  0.17038763  0.65377562  1
  N  N50  1  0.49153379  0.44929112  0.95576571  1
  N  N51  1  0.00440381  0.49355052  0.04476837  1
  N  N52  1  0.50833434  0.55069761  0.04423958  1
  N  N53  1  0.99269472  0.50628964  0.95542464  1
  N  N54  1  0.86978930  0.62690413  0.59136921  1
  N  N55  1  0.63064707  0.03574758  0.40829054  1
  N  N56  1  0.13026964  0.37347985  0.40866022  1
  N  N57  1  0.36892612  0.96420522  0.59189465  1
  O  O58  1  0.71907792  0.63160570  0.54803149  1
  O  O59  1  0.78084902  0.08369346  0.45238286  1
  O  O60  1  0.28091945  0.36861341  0.45199441  1
  O  O61  1  0.21746567  0.91736827  0.54906680  1
  O  O62  1  0.91006340  0.53821643  0.61236369  1
  O  O63  1  0.59106960  0.92601881  0.38660808  1
  O  O64  1  0.09018153  0.46226089  0.38776679  1
  O  O65  1  0.41029083  0.07339453  0.61272833  1
  O  O66  1  0.97776613  0.71862334  0.61168133  1
  O  O67  1  0.52265670  0.10732451  0.38799303  1
  O  O68  1  0.02217615  0.28178919  0.38825593  1
  O  O69  1  0.47617795  0.89202695  0.61192179  1
  O  O70  1  0.34950778  0.66449841  0.58488323  1
  O  O71  1  0.14910090  0.07901953  0.41368627  1
  O  O72  1  0.65023337  0.33551004  0.41515848  1
  O  O73  1  0.84908634  0.92072242  0.58587634  1
