# generated using pymatgen
data_FeNiH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88128294
_cell_length_b   11.63678734
_cell_length_c   12.30457173
_cell_angle_alpha   118.32990329
_cell_angle_beta   100.13683391
_cell_angle_gamma   89.89202213
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiH28C32(NO3)4
_chemical_formula_sum   'Fe1 Ni1 H28 C32 N4 O12'
_cell_volume   973.47278097
_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
  Fe  Fe0  1  0.99999895  0.99999954  0.49999883  1
  Ni  Ni1  1  0.50000152  0.50000066  0.50000152  1
  H  H2  1  0.84349974  0.90761457  0.62547803  1
  H  H3  1  0.65669944  0.28688975  0.37859844  1
  H  H4  1  0.15649969  0.09238396  0.37451988  1
  H  H5  1  0.34330352  0.71311128  0.62140310  1
  H  H6  1  0.02628700  0.84542194  0.62042967  1
  H  H7  1  0.47417556  0.23251839  0.38571929  1
  H  H8  1  0.97371336  0.15457756  0.37956855  1
  H  H9  1  0.52582723  0.76748214  0.61428222  1
  H  H10  1  0.76516700  0.93891163  0.25266494  1
  H  H11  1  0.73020386  0.68856292  0.74670801  1
  H  H12  1  0.23483088  0.06108816  0.74733281  1
  H  H13  1  0.26979788  0.31143856  0.25329769  1
  H  H14  1  0.57584618  0.75032722  0.07649295  1
  H  H15  1  0.91909216  0.67723469  0.92326271  1
  H  H16  1  0.42415325  0.24967259  0.92350328  1
  H  H17  1  0.08090587  0.32276504  0.07674343  1
  H  H18  1  0.79452791  0.51159491  0.24160055  1
  H  H19  1  0.70685245  0.27197941  0.75621691  1
  H  H20  1  0.20546674  0.48840427  0.75839666  1
  H  H21  1  0.29314768  0.72801840  0.24378222  1
  H  H22  1  0.98725023  0.70628882  0.40239410  1
  H  H23  1  0.51270732  0.30601833  0.59593257  1
  H  H24  1  0.01274397  0.29371048  0.59760408  1
  H  H25  1  0.48729669  0.69398168  0.40406663  1
  H  H26  1  0.56987055  0.40949644  0.05420459  1
  H  H27  1  0.93008400  0.35553931  0.94214497  1
  H  H28  1  0.43012572  0.59050316  0.94579161  1
  H  H29  1  0.06991524  0.64445873  0.05785754  1
  C  C30  1  0.76752025  0.84224240  0.24597898  1
  C  C31  1  0.72935399  0.59825257  0.75261733  1
  C  C32  1  0.23247735  0.15775725  0.75401851  1
  C  C33  1  0.27064755  0.40174832  0.24738719  1
  C  C34  1  0.66178958  0.73632978  0.14814514  1
  C  C35  1  0.83500223  0.59078460  0.85089403  1
  C  C36  1  0.33820821  0.26366970  0.85185152  1
  C  C37  1  0.16499716  0.40921505  0.14911032  1
  C  C38  1  0.66724662  0.61315763  0.14444199  1
  C  C39  1  0.83207149  0.47113437  0.85436498  1
  C  C40  1  0.33274992  0.38684195  0.85555460  1
  C  C41  1  0.16792789  0.52886446  0.14563747  1
  C  C42  1  0.78585642  0.60417611  0.23968687  1
  C  C43  1  0.71458721  0.36668354  0.75850922  1
  C  C44  1  0.21413884  0.39582320  0.76031021  1
  C  C45  1  0.28541368  0.63331528  0.24149168  1
  C  C46  1  0.89034469  0.71398510  0.33168464  1
  C  C47  1  0.60969803  0.38430097  0.66650099  1
  C  C48  1  0.10965030  0.28601422  0.66831316  1
  C  C49  1  0.39030461  0.61569914  0.33350008  1
  C  C50  1  0.62107780  0.04033600  0.50598469  1
  C  C51  1  0.87770209  0.53366745  0.49648041  1
  C  C52  1  0.37892105  0.95966522  0.49401585  1
  C  C53  1  0.12230082  0.46633369  0.50352244  1
  C  C54  1  0.55760931  0.94843558  0.54410243  1
  C  C55  1  0.94406349  0.40447743  0.45930512  1
  C  C56  1  0.44238986  0.05156600  0.45589825  1
  C  C57  1  0.05593932  0.59552346  0.54069747  1
  C  C58  1  0.55807125  0.49971698  0.04783929  1
  C  C59  1  0.94172663  0.45317660  0.95088415  1
  C  C60  1  0.44192542  0.50028293  0.95215709  1
  C  C61  1  0.05827237  0.54682141  0.04911839  1
  N  N62  1  0.87712756  0.83254810  0.33844742  1
  N  N63  1  0.62122375  0.49578556  0.65915360  1
  N  N64  1  0.12286886  0.16745112  0.66155025  1
  N  N65  1  0.37877938  0.50421528  0.34084910  1
  O  O66  1  0.96728982  0.92219938  0.62331221  1
  O  O67  1  0.53348429  0.30529094  0.38177031  1
  O  O68  1  0.03270922  0.07779927  0.37668499  1
  O  O69  1  0.46651864  0.69471008  0.61823240  1
  O  O70  1  0.76550330  0.09372911  0.51597036  1
  O  O71  1  0.73191018  0.57455233  0.48329755  1
  O  O72  1  0.23449580  0.90627044  0.48402802  1
  O  O73  1  0.26809290  0.42544910  0.51670575  1
  O  O74  1  0.62801968  0.89192708  0.60367584  1
  O  O75  1  0.87253946  0.28880333  0.39563789  1
  O  O76  1  0.37197961  0.10807393  0.39632413  1
  O  O77  1  0.12746353  0.71119771  0.60436137  1
