# generated using pymatgen
data_FeCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87573479
_cell_length_b   10.87282661
_cell_length_c   10.86216512
_cell_angle_alpha   89.22717800
_cell_angle_beta   89.01418979
_cell_angle_gamma   63.74136753
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoNiH8C14(NO)6
_chemical_formula_sum   'Fe2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1151.70807028
_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  0.89838343  0.10168924  0.24791226  1
  Fe  Fe1  1  0.10161572  0.89831189  0.75208584  1
  Ni  Ni2  1  0.85858058  0.98252691  -0.00543633  1
  Co  Co3  1  0.01574644  0.14124336  0.50533773  1
  Ni  Ni4  1  0.14141957  0.01747016  1.00543637  1
  Co  Co5  1  0.98424931  0.85876216  0.49466275  1
  H  H6  1  0.53732844  0.16778260  0.41195498  1
  H  H7  1  0.83133350  0.46370490  0.08724543  1
  H  H8  1  0.46267469  0.83220716  0.58804895  1
  H  H9  1  0.16867100  0.53629617  0.91275102  1
  H  H10  1  0.33244031  0.15584549  0.50996362  1
  H  H11  1  0.84189798  0.66876168  0.98926811  1
  H  H12  1  0.66755747  0.84415234  0.49003749  1
  H  H13  1  0.15811031  0.33123783  0.01072961  1
  H  H14  1  0.42513845  0.07506034  0.05556223  1
  H  H15  1  0.92881352  0.57570835  0.44194235  1
  H  H16  1  0.57486221  0.92493537  0.94444019  1
  H  H17  1  0.07117823  0.42429754  0.55805773  1
  H  H18  1  0.87548156  0.20744004  0.03343228  1
  H  H19  1  0.79045482  0.12380506  0.46391727  1
  H  H20  1  0.12451851  0.79255997  0.96656509  1
  H  H21  1  0.20954252  0.87619927  0.53607998  1
  C  C22  1  0.62429217  0.11780523  0.17357648  1
  C  C23  1  0.88260099  0.37765250  0.32666580  1
  C  C24  1  0.37571004  0.88218682  0.82642712  1
  C  C25  1  0.11739504  0.62235168  0.67333303  1
  C  C26  1  0.49697013  0.11744695  0.22870742  1
  C  C27  1  0.88296367  0.50424161  0.27013205  1
  C  C28  1  0.50303083  0.88254603  0.77129543  1
  C  C29  1  0.11703340  0.49576238  0.72986597  1
  C  C30  1  0.46844315  0.14338054  0.35629935  1
  C  C31  1  0.85604386  0.53266163  0.14267815  1
  C  C32  1  0.53155936  0.85661159  0.64370307  1
  C  C33  1  0.14395846  0.46734035  0.85731891  1
  C  C34  1  0.35461675  0.13785520  0.41198625  1
  C  C35  1  0.86088543  0.64671490  0.08704068  1
  C  C36  1  0.64538358  0.86214116  0.58801525  1
  C  C37  1  0.13911992  0.35328617  0.91295736  1
  C  C38  1  0.26844206  0.10786655  0.33723377  1
  C  C39  1  0.89215772  0.73309362  0.16092271  1
  C  C40  1  0.73155628  0.89213309  0.66276730  1
  C  C41  1  0.10784808  0.26690615  0.83907585  1
  C  C42  1  0.29454206  0.08488906  0.21031622  1
  C  C43  1  0.91734435  0.70569663  0.28719717  1
  C  C44  1  0.70545794  0.91510831  0.78968474  1
  C  C45  1  0.08265481  0.29430556  0.71280243  1
  C  C46  1  0.40805310  0.09075252  0.15417343  1
  C  C47  1  0.91125197  0.59263161  0.34372778  1
  C  C48  1  0.59194697  0.90924198  0.84582886  1
  C  C49  1  0.08874312  0.40737265  0.65627161  1
  N  N50  1  0.15555943  0.08583651  0.36414411  1
  N  N51  1  0.91358152  0.84629731  0.13460563  1
  N  N52  1  0.84443491  0.91416955  0.63585416  1
  N  N53  1  0.08642829  0.15370093  0.86539322  1
  N  N54  1  0.11987841  0.04337065  0.26225223  1
  N  N55  1  0.95918463  0.87996162  0.23591562  1
  N  N56  1  0.88011583  0.95663657  0.73774487  1
  N  N57  1  0.04082091  0.12003674  0.76408542  1
  N  N58  1  0.19512839  0.05094241  0.16679336  1
  N  N59  1  0.95372323  0.80319244  0.33090148  1
  N  N60  1  0.80486956  0.94906022  0.83320526  1
  N  N61  1  0.04627695  0.19680933  0.66909897  1
  O  O62  1  0.92697233  0.11295919  0.06087359  1
  O  O63  1  0.88526831  0.07324818  0.43653260  1
  O  O64  1  0.07302761  0.88704026  0.93912351  1
  O  O65  1  0.11472971  0.92675596  0.56346714  1
  O  O66  1  0.69239130  0.15365361  0.24677824  1
  O  O67  1  0.84762564  0.30743874  0.25519970  1
  O  O68  1  0.30761058  0.84634091  0.75322407  1
  O  O69  1  0.15237041  0.69256523  0.74479928  1
  O  O70  1  0.65491275  0.08116674  0.06194451  1
  O  O71  1  0.91838664  0.34986726  0.43870520  1
  O  O72  1  0.34508988  0.91882467  0.93805938  1
  O  O73  1  0.08160949  0.65013747  0.56129370  1
