# generated using pymatgen
data_NiH11C9S2N3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21004933
_cell_length_b   8.91906156
_cell_length_c   9.17922191
_cell_angle_alpha   110.15087632
_cell_angle_beta   103.27866003
_cell_angle_gamma   89.99411194
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH11C9S2N3O2
_chemical_formula_sum   'Ni2 H22 C18 S4 N6 O4'
_cell_volume   611.84180063
_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  0.67719164  0.89346561  0.52141163  1
  Ni  Ni1  1  0.32280866  0.10653350  0.47859146  1
  H  H2  1  0.98078032  0.48376778  0.63210683  1
  H  H3  1  0.01921050  0.51623422  0.36788252  1
  H  H4  1  0.72378539  0.58051248  0.01274850  1
  H  H5  1  0.27622297  0.41948635  0.98725604  1
  H  H6  1  0.81233721  0.22362469  0.49657961  1
  H  H7  1  0.18765771  0.77637741  0.50341450  1
  H  H8  1  0.56210007  0.31815534  0.86750711  1
  H  H9  1  0.43790741  0.68184212  0.13249961  1
  H  H10  1  0.77834061  0.05162897  0.89517540  1
  H  H11  1  0.22165977  0.94836641  0.10483110  1
  H  H12  1  0.68156408  0.92674843  0.97456351  1
  H  H13  1  0.31843083  0.07324370  0.02543599  1
  H  H14  1  0.56062792  0.05776916  0.89100848  1
  H  H15  1  0.43937245  0.94222846  0.10899485  1
  H  H16  1  0.93404068  0.78092314  0.02837463  1
  H  H17  1  0.06595294  0.21908146  0.97161794  1
  H  H18  1  0.93210114  0.78944032  0.83582755  1
  H  H19  1  0.06790552  0.21055931  0.16416608  1
  H  H20  1  0.09733169  0.70370382  0.93231081  1
  H  H21  1  0.90266730  0.29629842  0.06769307  1
  H  H22  1  0.53168369  0.78623239  0.71260121  1
  H  H23  1  0.46831633  0.21376566  0.28739689  1
  C  C24  1  0.05605718  0.01802259  0.67709299  1
  C  C25  1  0.94393954  0.98197652  0.32290558  1
  C  C26  1  0.88858749  0.45162013  0.68777906  1
  C  C27  1  0.11140437  0.54838178  0.31221900  1
  C  C28  1  0.67681025  0.52340665  0.34438025  1
  C  C29  1  0.32318879  0.47659289  0.65561997  1
  C  C30  1  0.74713304  0.50525523  0.89852286  1
  C  C31  1  0.25287425  0.49474391  0.10147905  1
  C  C32  1  0.86456921  0.55625468  0.83299218  1
  C  C33  1  0.13542955  0.44374729  0.16700464  1
  C  C34  1  0.79615028  0.30584268  0.61039227  1
  C  C35  1  0.20384758  0.69415839  0.38960317  1
  C  C36  1  0.65688324  0.35846913  0.82043285  1
  C  C37  1  0.34312095  0.64153083  0.17956936  1
  C  C38  1  0.66394645  0.97981255  0.88097698  1
  C  C39  1  0.33605229  0.02018307  0.11902558  1
  C  C40  1  0.96163254  0.71658777  0.91230101  1
  C  C41  1  0.03836600  0.28341260  0.08769417  1
  S  S42  1  0.25398006  0.08493263  0.72626692  1
  S  S43  1  0.74602131  0.91506959  0.27373616  1
  S  S44  1  0.66297188  0.33575643  0.23061302  1
  S  S45  1  0.33702721  0.66424361  0.76938626  1
  N  N46  1  0.91446956  0.96560732  0.64340738  1
  N  N47  1  0.08553294  0.03439328  0.35659327  1
  N  N48  1  0.67996001  0.25950824  0.67559179  1
  N  N49  1  0.32004055  0.74049228  0.32440915  1
  N  N50  1  0.68940054  0.66090701  0.42415791  1
  N  N51  1  0.31059990  0.33909277  0.57584236  1
  O  O52  1  0.58653205  0.12156287  0.59866252  1
  O  O53  1  0.41346921  0.87843667  0.40134190  1
  O  O54  1  0.63262286  0.85597518  0.72697184  1
  O  O55  1  0.36737754  0.14402381  0.27302908  1
