# generated using pymatgen
data_NiH4C6(N3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00380266
_cell_length_b   6.00367417
_cell_length_c   14.15590685
_cell_angle_alpha   102.16429196
_cell_angle_beta   102.16316641
_cell_angle_gamma   90.03965856
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH4C6(N3O2)2
_chemical_formula_sum   'Ni2 H8 C12 N12 O8'
_cell_volume   487.05132919
_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  0.12489935  0.87510008  0.24999835  1
  Ni  Ni1  1  0.87509871  0.12490026  0.75000124  1
  H  H2  1  0.29039199  0.76429764  0.02793984  1
  H  H3  1  0.76465973  0.73812950  0.52788189  1
  H  H4  1  0.73812227  0.76465671  0.02787878  1
  H  H5  1  0.76430152  0.29038344  0.52793911  1
  H  H6  1  0.70960318  0.23570462  0.97205841  1
  H  H7  1  0.23569995  0.70961845  0.47206257  1
  H  H8  1  0.26186625  0.23534206  0.97211779  1
  H  H9  1  0.23534212  0.26187661  0.47212059  1
  C  C10  1  0.62049556  0.87064837  0.24123583  1
  C  C11  1  0.87065030  0.62049934  0.74124262  1
  C  C12  1  0.37950028  0.12935011  0.75876066  1
  C  C13  1  0.12935253  0.37950337  0.25876177  1
  C  C14  1  0.43077487  0.79593984  0.09136906  1
  C  C15  1  0.79605313  0.66103868  0.59136614  1
  C  C16  1  0.66103668  0.79604617  0.09136247  1
  C  C17  1  0.79594840  0.43077036  0.59137157  1
  C  C18  1  0.56921737  0.20405572  0.90862802  1
  C  C19  1  0.20405602  0.56923260  0.40863074  1
  C  C20  1  0.33895768  0.20394897  0.90863333  1
  C  C21  1  0.20395016  0.33896500  0.40863643  1
  N  N22  1  0.67214082  0.92245702  0.34487965  1
  N  N23  1  0.92245988  0.67214194  0.84488612  1
  N  N24  1  0.32786024  0.07754250  0.65511684  1
  N  N25  1  0.07754586  0.32785715  0.15511799  1
  N  N26  1  0.40358442  0.84351297  0.18680489  1
  N  N27  1  0.84355753  0.78322728  0.68679100  1
  N  N28  1  0.78322398  0.84355383  0.18678561  1
  N  N29  1  0.84351893  0.40358399  0.68680824  1
  N  N30  1  0.59641026  0.15648447  0.81319302  1
  N  N31  1  0.15648418  0.59641966  0.31319455  1
  N  N32  1  0.21677150  0.15644482  0.81321105  1
  N  N33  1  0.15644329  0.21677473  0.31321253  1
  O  O34  1  0.87860597  0.94400193  0.38835214  1
  O  O35  1  0.94438412  0.50912469  0.88845445  1
  O  O36  1  0.50914302  0.94438800  0.38845695  1
  O  O37  1  0.94400786  0.87860930  0.88836333  1
  O  O38  1  0.12139803  0.05599094  0.61164109  1
  O  O39  1  0.05600460  0.12138752  0.11164336  1
  O  O40  1  0.49086711  0.05561991  0.61154401  1
  O  O41  1  0.05561579  0.49086480  0.11154478  1
