# generated using pymatgen
data_Fe2NiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88157875
_cell_length_b   10.87592305
_cell_length_c   10.87300129
_cell_angle_alpha   89.20642929
_cell_angle_beta   89.00289493
_cell_angle_gamma   63.71659145
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiH8C14(NO)6
_chemical_formula_sum   'Fe4 Ni2 H16 C28 N12 O12'
_cell_volume   1153.55248726
_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  0.90087935  0.09943699  0.25021450  1
  Ni  Ni1  1  0.09911891  0.90056583  0.74978352  1
  Fe  Fe2  1  0.85670133  0.99638709  -0.00602745  1
  Fe  Fe3  1  0.00367564  0.14360395  0.50614405  1
  Fe  Fe4  1  0.14330200  0.00360967  1.00602806  1
  Fe  Fe5  1  0.99632127  0.85640184  0.49385556  1
  H  H6  1  0.53889758  0.16847355  0.41380671  1
  H  H7  1  0.83032382  0.46155720  0.08728726  1
  H  H8  1  0.46110529  0.83151594  0.58619664  1
  H  H9  1  0.16968096  0.53844382  0.91270945  1
  H  H10  1  0.33456275  0.15611843  0.51259403  1
  H  H11  1  0.84193749  0.66589586  0.98825344  1
  H  H12  1  0.66543480  0.84387985  0.48740735  1
  H  H13  1  0.15807051  0.33410453  0.01174479  1
  H  H14  1  0.42656373  0.07552592  0.05820488  1
  H  H15  1  0.92780182  0.57354103  0.44130748  1
  H  H16  1  0.57343620  0.92447073  0.94179653  1
  H  H17  1  0.07218985  0.42646471  0.55869298  1
  H  H18  1  0.88104943  0.21499404  0.04769402  1
  H  H19  1  0.78531763  0.11888450  0.45279158  1
  H  H20  1  0.11895080  0.78500630  0.95230349  1
  H  H21  1  0.21467997  0.88111970  0.54720607  1
  C  C22  1  0.62596622  0.11830461  0.17496002  1
  C  C23  1  0.88245547  0.37441285  0.32549607  1
  C  C24  1  0.37403634  0.88168671  0.82504244  1
  C  C25  1  0.11754075  0.62559134  0.67450266  1
  C  C26  1  0.49879720  0.11822778  0.23057000  1
  C  C27  1  0.88253862  0.50146504  0.26975127  1
  C  C28  1  0.50120511  0.88176416  0.76943303  1
  C  C29  1  0.11745873  0.49853884  0.73024707  1
  C  C30  1  0.47019285  0.14401263  0.35833022  1
  C  C31  1  0.85548131  0.53015404  0.14239429  1
  C  C32  1  0.52980824  0.85597969  0.64167276  1
  C  C33  1  0.14452091  0.46984799  0.85760305  1
  C  C34  1  0.35688488  0.13809354  0.41460401  1
  C  C35  1  0.86099281  0.64347998  0.08595923  1
  C  C36  1  0.64311375  0.86190283  0.58539745  1
  C  C37  1  0.13901292  0.35652092  0.91403909  1
  C  C38  1  0.27106015  0.10695254  0.34027467  1
  C  C39  1  0.89314952  0.72920194  0.15966450  1
  C  C40  1  0.72893767  0.89304674  0.65972531  1
  C  C41  1  0.10685674  0.27079755  0.84033453  1
  C  C42  1  0.29649614  0.08520675  0.21356511  1
  C  C43  1  0.91676163  0.70336351  0.28598085  1
  C  C44  1  0.70350303  0.91479127  0.78643543  1
  C  C45  1  0.08323740  0.29663937  0.71401956  1
  C  C46  1  0.40961081  0.09145366  0.15669434  1
  C  C47  1  0.91072393  0.59034062  0.34304802  1
  C  C48  1  0.59039039  0.90854128  0.84330730  1
  C  C49  1  0.08927105  0.40966426  0.65695243  1
  N  N50  1  0.15823396  0.08518278  0.36729871  1
  N  N51  1  0.91430198  0.84229410  0.13232729  1
  N  N52  1  0.84175958  0.91482291  0.63269971  1
  N  N53  1  0.08570987  0.15770160  0.86767200  1
  N  N54  1  0.11727471  0.04973363  0.26466680  1
  N  N55  1  0.95136671  0.88299376  0.23437315  1
  N  N56  1  0.88271955  0.95027247  0.73533173  1
  N  N57  1  0.04863812  0.11700615  0.76562725  1
  N  N58  1  0.19607806  0.05295299  0.17002598  1
  N  N59  1  0.94990087  0.80355945  0.32878648  1
  N  N60  1  0.80391877  0.94704995  0.82997290  1
  N  N61  1  0.05009716  0.19644344  0.67121453  1
  O  O62  1  0.93089007  0.11737031  0.06544919  1
  O  O63  1  0.88293857  0.06900466  0.43474793  1
  O  O64  1  0.06911065  0.88263032  0.93454786  1
  O  O65  1  0.11705923  0.93100046  0.56525153  1
  O  O66  1  0.69669096  0.15203659  0.24657527  1
  O  O67  1  0.84783679  0.30378987  0.25444636  1
  O  O68  1  0.30330929  0.84795901  0.75342657  1
  O  O69  1  0.15216029  0.69621402  0.74555140  1
  O  O70  1  0.65456948  0.08302972  0.06251704  1
  O  O71  1  0.91858090  0.34583282  0.43753577  1
  O  O72  1  0.34543556  0.91695647  0.93748710  1
  O  O73  1  0.08141368  0.65417141  0.56246223  1
