# generated using pymatgen
data_Fe2NiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88493295
_cell_length_b   10.87934783
_cell_length_c   10.87292425
_cell_angle_alpha   89.20951245
_cell_angle_beta   89.01206941
_cell_angle_gamma   63.70951656
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiH8C14(NO)6
_chemical_formula_sum   'Fe4 Ni2 H16 C28 N12 O12'
_cell_volume   1154.19591038
_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
  Fe  Fe0  1  0.89861761  0.10010858  0.24541085  1
  Fe  Fe1  1  0.10137973  0.89989322  0.75458619  1
  Ni  Ni2  1  0.85920361  0.98295688  -0.00570360  1
  Fe  Fe3  1  0.00603496  0.14240425  0.50361106  1
  Ni  Ni4  1  0.14079581  0.01704103  1.00570292  1
  Fe  Fe5  1  0.99396117  0.85760173  0.49638842  1
  H  H6  1  0.53762597  0.16834434  0.41149728  1
  H  H7  1  0.83048941  0.46273018  0.08613194  1
  H  H8  1  0.46237694  0.83164506  0.58850607  1
  H  H9  1  0.16951507  0.53726959  0.91386500  1
  H  H10  1  0.33292157  0.15558283  0.50906823  1
  H  H11  1  0.84100984  0.66712485  0.98703790  1
  H  H12  1  0.66707654  0.84441521  0.49093303  1
  H  H13  1  0.15899850  0.33287414  0.01296025  1
  H  H14  1  0.42677811  0.07662967  0.05486440  1
  H  H15  1  0.92825328  0.57500992  0.43982136  1
  H  H16  1  0.57322184  0.92336476  0.94513853  1
  H  H17  1  0.07173857  0.42499584  0.56017880  1
  H  H18  1  0.87592253  0.20908145  0.03037450  1
  H  H19  1  0.78228451  0.11775588  0.45988097  1
  H  H20  1  0.12407831  0.79091851  0.96962187  1
  H  H21  1  0.21771283  0.88224799  0.54011520  1
  C  C22  1  0.62501234  0.11844341  0.17348866  1
  C  C23  1  0.88179588  0.37718060  0.32525261  1
  C  C24  1  0.37498993  0.88155038  0.82651567  1
  C  C25  1  0.11819984  0.62282423  0.67474639  1
  C  C26  1  0.49795806  0.11770835  0.22815313  1
  C  C27  1  0.88200872  0.50333211  0.26853597  1
  C  C28  1  0.50204386  0.88228435  0.77184985  1
  C  C29  1  0.11798904  0.49667206  0.73146240  1
  C  C30  1  0.46947737  0.14335534  0.35566120  1
  C  C31  1  0.85514149  0.53179512  0.14111602  1
  C  C32  1  0.53052406  0.85663674  0.64434204  1
  C  C33  1  0.14486083  0.46820642  0.85888139  1
  C  C34  1  0.35601875  0.13743224  0.41119150  1
  C  C35  1  0.85983358  0.64556939  0.08491534  1
  C  C36  1  0.64398062  0.86256376  0.58881060  1
  C  C37  1  0.14017196  0.35443098  0.91508314  1
  C  C38  1  0.27071335  0.10668828  0.33613210  1
  C  C39  1  0.89098521  0.73227736  0.15868891  1
  C  C40  1  0.72928513  0.89331106  0.66386865  1
  C  C41  1  0.10901989  0.26772328  0.84130950  1
  C  C42  1  0.29558964  0.08450171  0.20920953  1
  C  C43  1  0.91566043  0.70495245  0.28486442  1
  C  C44  1  0.70441096  0.91549599  0.79079143  1
  C  C45  1  0.08433904  0.29504992  0.71513447  1
  C  C46  1  0.40909357  0.09130894  0.15341577  1
  C  C47  1  0.91023516  0.59206940  0.34169842  1
  C  C48  1  0.59090722  0.90868557  0.84658624  1
  C  C49  1  0.08975980  0.40793499  0.65830111  1
  N  N50  1  0.15865415  0.08441458  0.36403099  1
  N  N51  1  0.91346689  0.84513312  0.13260887  1
  N  N52  1  0.84134015  0.91559010  0.63596623  1
  N  N53  1  0.08654064  0.15486559  0.86739008  1
  N  N54  1  0.12292385  0.04068864  0.26305000  1
  N  N55  1  0.96100503  0.87710705  0.23334885  1
  N  N56  1  0.87707142  0.95931701  0.73694588  1
  N  N57  1  0.03900092  0.12289145  0.76665079  1
  N  N58  1  0.19558651  0.05061212  0.16672741  1
  N  N59  1  0.95296520  0.80167056  0.32829261  1
  N  N60  1  0.80441380  0.94938878  0.83327092  1
  N  N61  1  0.04703503  0.19833158  0.67170740  1
  O  O62  1  0.92638895  0.11492147  0.05925735  1
  O  O63  1  0.87927282  0.06976181  0.43879984  1
  O  O64  1  0.07361166  0.88507827  0.94073996  1
  O  O65  1  0.12072557  0.93024275  0.56119951  1
  O  O66  1  0.69299048  0.15347098  0.24753928  1
  O  O67  1  0.84529082  0.30758974  0.25481281  1
  O  O68  1  0.30700913  0.84652546  0.75246564  1
  O  O69  1  0.15470571  0.69241401  0.74518669  1
  O  O70  1  0.65555495  0.08295324  0.06166914  1
  O  O71  1  0.92029741  0.34750557  0.43673795  1
  O  O72  1  0.34445037  0.91703872  0.93833682  1
  O  O73  1  0.07969666  0.65249986  0.56326174  1
