# generated using pymatgen
data_FeNiH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88123964
_cell_length_b   11.63677135
_cell_length_c   12.30995811
_cell_angle_alpha   118.37674190
_cell_angle_beta   100.11904684
_cell_angle_gamma   89.91848535
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiH28C32(NO3)4
_chemical_formula_sum   'Fe1 Ni1 H28 C32 N4 O12'
_cell_volume   973.46580798
_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  0.99999940  0.99999922  0.49999861  1
  Fe  Fe1  1  0.50000192  0.50000085  0.50000163  1
  H  H2  1  0.84355526  0.90933930  0.62169536  1
  H  H3  1  0.65682693  0.28141707  0.37490512  1
  H  H4  1  0.15644420  0.09065973  0.37830284  1
  H  H5  1  0.34317646  0.71858392  0.62509641  1
  H  H6  1  0.02590364  0.84737625  0.61421987  1
  H  H7  1  0.47375565  0.22437447  0.37947817  1
  H  H8  1  0.97409666  0.15262312  0.38577830  1
  H  H9  1  0.52624744  0.77562642  0.62052318  1
  H  H10  1  0.76760111  0.94230468  0.25592592  1
  H  H11  1  0.73260276  0.68838913  0.74975409  1
  H  H12  1  0.23239655  0.05769482  0.74407181  1
  H  H13  1  0.26739798  0.31161250  0.25025160  1
  H  H14  1  0.57814443  0.75460839  0.07926084  1
  H  H15  1  0.92120918  0.67580914  0.92580435  1
  H  H16  1  0.42185466  0.24539113  0.92073515  1
  H  H17  1  0.07878848  0.32419070  0.07420166  1
  H  H18  1  0.79579665  0.51407172  0.24191230  1
  H  H19  1  0.70807699  0.26986275  0.75643926  1
  H  H20  1  0.20419797  0.48592750  0.75808496  1
  H  H21  1  0.29192370  0.73013554  0.24356029  1
  H  H22  1  0.98898986  0.70871006  0.40313706  1
  H  H23  1  0.51422009  0.30438887  0.59662464  1
  H  H24  1  0.01100511  0.29128885  0.59686070  1
  H  H25  1  0.48578252  0.69561126  0.40337549  1
  H  H26  1  0.57181574  0.41202086  0.05569560  1
  H  H27  1  0.93179149  0.35439358  0.94341942  1
  H  H28  1  0.42818091  0.58797920  0.94430102  1
  H  H29  1  0.06820707  0.64560404  0.05658250  1
  C  C30  1  0.76940087  0.84565065  0.24910943  1
  C  C31  1  0.73111169  0.59791782  0.75553417  1
  C  C32  1  0.23059616  0.15434881  0.75088795  1
  C  C33  1  0.26888939  0.40208300  0.24447037  1
  C  C34  1  0.66356190  0.73998799  0.15068138  1
  C  C35  1  0.83665781  0.58967012  0.85324257  1
  C  C36  1  0.33643592  0.26001169  0.84931543  1
  C  C37  1  0.16334144  0.41032945  0.14676167  1
  C  C38  1  0.66809293  0.61617724  0.14573781  1
  C  C39  1  0.83289478  0.46944634  0.85559189  1
  C  C40  1  0.33190381  0.38382234  0.85425904  1
  C  C41  1  0.16710488  0.53055246  0.14441073  1
  C  C42  1  0.78678984  0.60696677  0.24064268  1
  C  C43  1  0.71551319  0.36487950  0.75939760  1
  C  C44  1  0.21320572  0.39303248  0.75935458  1
  C  C45  1  0.28448745  0.63511929  0.24060328  1
  C  C46  1  0.89137606  0.71669859  0.33309640  1
  C  C47  1  0.61057706  0.38299041  0.66787072  1
  C  C48  1  0.10861937  0.28330047  0.66690117  1
  C  C49  1  0.38942487  0.61700959  0.33213038  1
  C  C50  1  0.62220494  0.03716107  0.50358504  1
  C  C51  1  0.87884636  0.53451943  0.49404537  1
  C  C52  1  0.37779386  0.96283986  0.49641533  1
  C  C53  1  0.12115694  0.46548183  0.50595747  1
  C  C54  1  0.55616306  0.94513102  0.54049314  1
  C  C55  1  0.94251892  0.40420894  0.45568008  1
  C  C56  1  0.44383593  0.05487015  0.45950755  1
  C  C57  1  0.05748475  0.59579234  0.54432297  1
  C  C58  1  0.55882124  0.50174018  0.04857746  1
  C  C59  1  0.94246321  0.45187358  0.95158197  1
  C  C60  1  0.44117547  0.49825983  0.95141910  1
  C  C61  1  0.05753530  0.54812429  0.04842019  1
  N  N62  1  0.87889472  0.83602770  0.34157693  1
  N  N63  1  0.62274194  0.49535906  0.66212405  1
  N  N64  1  0.12110127  0.16397148  0.65842064  1
  N  N65  1  0.37726068  0.50464171  0.33787862  1
  O  O66  1  0.96674587  0.92443841  0.61856108  1
  O  O67  1  0.53296219  0.29826948  0.37695579  1
  O  O68  1  0.03325327  0.07556042  0.38143638  1
  O  O69  1  0.46704156  0.70173203  0.62304681  1
  O  O70  1  0.76778595  0.09141911  0.51696784  1
  O  O71  1  0.73425662  0.57807541  0.48442336  1
  O  O72  1  0.23221296  0.90858040  0.48303001  1
  O  O73  1  0.26574698  0.42192581  0.51557951  1
  O  O74  1  0.62770216  0.89358866  0.60447178  1
  O  O75  1  0.87219619  0.28800396  0.39654311  1
  O  O76  1  0.37229725  0.10641228  0.39552834  1
  O  O77  1  0.12780744  0.71199719  0.60345615  1
