# generated using pymatgen
data_NiH10C14(N3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40135876
_cell_length_b   9.51920621
_cell_length_c   9.52289529
_cell_angle_alpha   81.78281846
_cell_angle_beta   75.40005536
_cell_angle_gamma   75.79800752
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH10C14(N3O2)2
_chemical_formula_sum   'Ni2 H20 C28 N12 O8'
_cell_volume   796.51989827
_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  0.73930891  0.94710953  0.71667341  1
  Ni  Ni1  1  0.23916841  0.71344382  0.94760483  1
  H  H2  1  0.38975705  0.01304567  0.61199988  1
  H  H3  1  0.89030715  0.61305009  0.02428736  1
  H  H4  1  0.59703719  0.49055857  0.77779732  1
  H  H5  1  0.10456911  0.77151982  0.48625795  1
  H  H6  1  0.87194233  0.87664084  0.17584754  1
  H  H7  1  0.36777417  0.17718259  0.88190941  1
  H  H8  1  0.07725143  0.30883677  0.24916262  1
  H  H9  1  0.57916919  0.24552887  0.29593368  1
  H  H10  1  0.59184406  0.92467573  0.08367232  1
  H  H11  1  0.08675879  0.08855298  0.92442839  1
  H  H12  1  0.95983633  0.11175129  0.40838801  1
  H  H13  1  0.46575602  0.40888069  0.10084705  1
  H  H14  1  0.78754292  0.62963457  0.53863130  1
  H  H15  1  0.29424493  0.53250792  0.62131312  1
  H  H16  1  0.21237812  0.02989638  0.45030426  1
  H  H17  1  0.71042559  0.45591883  0.03200349  1
  H  H18  1  0.31194762  0.98372271  0.18644343  1
  H  H19  1  0.80723473  0.19257471  0.98167505  1
  H  H20  1  0.98541932  0.56738590  0.30916107  1
  H  H21  1  0.48993632  0.30312366  0.55558389  1
  C  C22  1  0.43059540  0.99376646  0.49742081  1
  C  C23  1  0.92995209  0.49934551  0.00205549  1
  C  C24  1  0.44356989  0.90077958  0.86461211  1
  C  C25  1  0.94217043  0.86704925  0.90298199  1
  C  C26  1  0.54686143  0.74928301  0.83206440  1
  C  C27  1  0.04204083  0.82362398  0.75254522  1
  C  C28  1  0.98862284  0.33560741  0.34666354  1
  C  C29  1  0.49241096  0.34346596  0.32429759  1
  C  C30  1  0.54410418  0.94289384  0.19774440  1
  C  C31  1  0.03985009  0.20185264  0.94493662  1
  C  C32  1  0.82055644  0.26137540  0.56267558  1
  C  C33  1  0.32703260  0.56152150  0.25306452  1
  C  C34  1  0.92870690  0.22432277  0.43539418  1
  C  C35  1  0.43405703  0.43436724  0.21404287  1
  C  C36  1  0.82808918  0.51893361  0.50693974  1
  C  C37  1  0.33466357  0.50222090  0.51003024  1
  C  C38  1  0.77185437  0.40648430  0.59578134  1
  C  C39  1  0.27885745  0.59265670  0.39889491  1
  C  C40  1  0.63929346  0.93178810  0.29154658  1
  C  C41  1  0.13673023  0.29353834  0.93776874  1
  C  C42  1  0.33366331  0.00330154  0.40543152  1
  C  C43  1  0.83141445  0.40967949  0.00679562  1
  C  C44  1  0.38903160  0.97818842  0.25682294  1
  C  C45  1  0.88511958  0.26180478  0.97895180  1
  C  C46  1  0.93809060  0.48166260  0.38079445  1
  C  C47  1  0.44297021  0.37604219  0.47096152  1
  C  C48  1  0.58560148  0.95727543  0.43852448  1
  C  C49  1  0.08475825  0.43924000  0.96723616  1
  N  N50  1  0.83399883  0.91560719  0.39325508  1
  N  N51  1  0.33348986  0.39188135  0.92597419  1
  N  N52  1  0.64647644  0.26644387  0.76752620  1
  N  N53  1  0.15359799  0.76631956  0.26197228  1
  N  N54  1  0.71141494  0.94451815  0.49600497  1
  N  N55  1  0.21192886  0.49429588  0.95790783  1
  N  N56  1  0.66564634  0.40146468  0.72380828  1
  N  N57  1  0.17465664  0.72141579  0.39595643  1
  N  N58  1  0.73969628  0.17985110  0.67317600  1
  N  N59  1  0.24750126  0.67429717  0.17345594  1
  N  N60  1  0.79272236  0.90447606  0.27170607  1
  N  N61  1  0.29011270  0.27189631  0.91298039  1
  O  O62  1  0.48352403  0.64127161  0.87054483  1
  O  O63  1  0.97799972  0.86118813  0.64559663  1
  O  O64  1  0.50532987  0.00915744  0.82090303  1
  O  O65  1  1.00195367  0.82231546  0.01190211  1
  O  O66  1  0.30783082  0.90612493  0.92936577  1
  O  O67  1  0.81028572  0.94107485  0.90614238  1
  O  O68  1  0.68242156  0.74569327  0.76846410  1
  O  O69  1  0.17577544  0.75445220  0.74781444  1
