# generated using pymatgen
data_FeCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87166532
_cell_length_b   10.86580383
_cell_length_c   10.86803238
_cell_angle_alpha   89.22842589
_cell_angle_beta   89.01861210
_cell_angle_gamma   63.75644527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoNiH8C14(NO)6
_chemical_formula_sum   'Fe2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1151.30578289
_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
  Co  Co0  1  0.90386743  0.09868464  0.25367493  1
  Co  Co1  1  0.09613685  0.90131632  0.74632394  1
  Fe  Fe2  1  0.85679565  0.99549674  -0.00432524  1
  Ni  Ni3  1  0.01625810  0.14051240  0.50670472  1
  Fe  Fe4  1  0.14320531  0.00449940  1.00432593  1
  Ni  Ni5  1  0.98373780  0.85949221  0.49329658  1
  H  H6  1  0.53735605  0.16814960  0.41546471  1
  H  H7  1  0.83081879  0.46301880  0.08849122  1
  H  H8  1  0.46264659  0.83183998  0.58453909  1
  H  H9  1  0.16918618  0.53698186  0.91150674  1
  H  H10  1  0.33249386  0.15660679  0.51321947  1
  H  H11  1  0.84291100  0.66786693  0.99195037  1
  H  H12  1  0.66750309  0.84339115  0.48678087  1
  H  H13  1  0.15709689  0.33213415  0.00804672  1
  H  H14  1  0.42408047  0.07483272  0.05964392  1
  H  H15  1  0.92769368  0.57361147  0.44402073  1
  H  H16  1  0.57592120  0.92516243  0.94035872  1
  H  H17  1  0.07229815  0.42639433  0.55597952  1
  H  H18  1  0.87944765  0.21825995  0.04803340  1
  H  H19  1  0.79138142  0.12525620  0.45807515  1
  H  H20  1  0.12055324  0.78173905  0.95196243  1
  H  H21  1  0.20861500  0.87474907  0.54192064  1
  C  C22  1  0.62512701  0.11722595  0.17611363  1
  C  C23  1  0.88408860  0.37295353  0.32651293  1
  C  C24  1  0.37487458  0.88276500  0.82389016  1
  C  C25  1  0.11590794  0.62704980  0.67348546  1
  C  C26  1  0.49756199  0.11746323  0.23205873  1
  C  C27  1  0.88406843  0.50114266  0.27167694  1
  C  C28  1  0.50243849  0.88252895  0.76794362  1
  C  C29  1  0.11592882  0.49885996  0.72832198  1
  C  C30  1  0.46872101  0.14357936  0.35959530  1
  C  C31  1  0.85677126  0.53067692  0.14454446  1
  C  C32  1  0.53128165  0.85641233  0.64040699  1
  C  C33  1  0.14323090  0.46932529  0.85545377  1
  C  C34  1  0.35458706  0.13849685  0.41539305  1
  C  C35  1  0.86221614  0.64476922  0.08939699  1
  C  C36  1  0.64541293  0.86149929  0.58460804  1
  C  C37  1  0.13778926  0.35523139  0.91060087  1
  C  C38  1  0.26772331  0.10819018  0.34157127  1
  C  C39  1  0.89401508  0.73036188  0.16357005  1
  C  C40  1  0.73227515  0.89180893  0.65842969  1
  C  C41  1  0.10599112  0.26963670  0.83642933  1
  C  C42  1  0.29474708  0.08535476  0.21505074  1
  C  C43  1  0.91806628  0.70379668  0.28979226  1
  C  C44  1  0.70525143  0.91464316  0.78495001  1
  C  C45  1  0.08193194  0.29620599  0.71020872  1
  C  C46  1  0.40794727  0.09109807  0.15820323  1
  C  C47  1  0.91174239  0.59006640  0.34570088  1
  C  C48  1  0.59205238  0.90889598  0.84179892  1
  C  C49  1  0.08825187  0.40993800  0.65429923  1
  N  N50  1  0.15377261  0.08785046  0.36727224  1
  N  N51  1  0.91264090  0.84497547  0.13659031  1
  N  N52  1  0.84622188  0.91215606  0.63272658  1
  N  N53  1  0.08737199  0.15502088  0.86340863  1
  N  N54  1  0.11566157  0.04936443  0.26434352  1
  N  N55  1  0.95273829  0.88350738  0.23857327  1
  N  N56  1  0.88433055  0.95064619  0.73565308  1
  N  N57  1  0.04726892  0.11649150  0.76142709  1
  N  N58  1  0.19528020  0.05282822  0.17015203  1
  N  N59  1  0.94961967  0.80516143  0.33322071  1
  N  N60  1  0.80471361  0.94717835  0.82984598  1
  N  N61  1  0.05037953  0.19484250  0.66677998  1
  O  O62  1  0.93091542  0.11986781  0.06179236  1
  O  O63  1  0.88829545  0.07221248  0.43784686  1
  O  O64  1  0.06908528  0.88013146  0.93820354  1
  O  O65  1  0.11170167  0.92779130  0.56215496  1
  O  O66  1  0.69696853  0.15004585  0.24717692  1
  O  O67  1  0.84999459  0.30342592  0.25314409  1
  O  O68  1  0.30303287  0.84994807  0.75282464  1
  O  O69  1  0.14999990  0.69658030  0.74685308  1
  O  O70  1  0.65289962  0.08277238  0.06325829  1
  O  O71  1  0.91814302  0.34367833  0.43858658  1
  O  O72  1  0.34710392  0.91721776  0.93674620  1
  O  O73  1  0.08185477  0.65632560  0.56141166  1
