# generated using pymatgen
data_FeCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87442396
_cell_length_b   10.86753023
_cell_length_c   10.86023058
_cell_angle_alpha   89.22980668
_cell_angle_beta   89.03657662
_cell_angle_gamma   63.75206540
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoNiH8C14(NO)6
_chemical_formula_sum   'Fe2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1150.91584587
_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  0.89861346  0.10113748  0.24875999  1
  Ni  Ni1  1  0.10138679  0.89886564  0.75123806  1
  Co  Co2  1  0.85898977  0.98603692  -0.00607532  1
  Fe  Fe3  1  0.00409826  0.14337961  0.50545386  1
  Co  Co4  1  0.14101087  0.01396283  1.00607327  1
  Fe  Fe5  1  0.99589961  0.85662505  0.49454465  1
  H  H6  1  0.53728759  0.16789126  0.41384077  1
  H  H7  1  0.83065245  0.46262048  0.08647035  1
  H  H8  1  0.46271506  0.83209871  0.58616501  1
  H  H9  1  0.16935270  0.53738029  0.91352605  1
  H  H10  1  0.33229770  0.15511417  0.51148139  1
  H  H11  1  0.84211563  0.66691988  0.98744803  1
  H  H12  1  0.66769670  0.84488440  0.48852074  1
  H  H13  1  0.15789182  0.33308075  0.01255122  1
  H  H14  1  0.42672028  0.07473149  0.05681799  1
  H  H15  1  0.92931569  0.57468058  0.44102667  1
  H  H16  1  0.57327429  0.92526542  0.94318144  1
  H  H17  1  0.07067644  0.42532475  0.55897410  1
  H  H18  1  0.87685208  0.20915047  0.04404014  1
  H  H19  1  0.78581084  0.12064904  0.45282421  1
  H  H20  1  0.12314794  0.79085174  0.95595685  1
  H  H21  1  0.21418544  0.87935541  0.54717360  1
  C  C22  1  0.62569919  0.11743164  0.17402779  1
  C  C23  1  0.88326527  0.37522896  0.32513921  1
  C  C24  1  0.37430469  0.88255785  0.82597512  1
  C  C25  1  0.11673083  0.62477506  0.67485865  1
  C  C26  1  0.49807400  0.11719649  0.22970689  1
  C  C27  1  0.88312270  0.50256700  0.26929156  1
  C  C28  1  0.50192921  0.88279543  0.77029725  1
  C  C29  1  0.11687553  0.49743682  0.73070725  1
  C  C30  1  0.46904512  0.14306344  0.35761600  1
  C  C31  1  0.85590754  0.53129717  0.14185974  1
  C  C32  1  0.53095631  0.85692880  0.64238727  1
  C  C33  1  0.14409504  0.46870501  0.85813831  1
  C  C34  1  0.35532540  0.13734979  0.41333068  1
  C  C35  1  0.86087045  0.64497193  0.08525706  1
  C  C36  1  0.64467274  0.86264671  0.58667100  1
  C  C37  1  0.13913561  0.35502853  0.91474220  1
  C  C38  1  0.26986735  0.10634617  0.33810273  1
  C  C39  1  0.89195045  0.73152045  0.15884913  1
  C  C40  1  0.73013113  0.89365250  0.66189760  1
  C  C41  1  0.10805467  0.26848012  0.84114950  1
  C  C42  1  0.29584749  0.08406934  0.21123163  1
  C  C43  1  0.91639318  0.70460797  0.28518189  1
  C  C44  1  0.70415512  0.91592860  0.78876936  1
  C  C45  1  0.08360576  0.29539515  0.71481846  1
  C  C46  1  0.40935026  0.09039765  0.15526023  1
  C  C47  1  0.91140913  0.59144569  0.34268529  1
  C  C48  1  0.59065327  0.90959724  0.84474083  1
  C  C49  1  0.08858649  0.40855943  0.65731515  1
  N  N50  1  0.15611032  0.08613686  0.36449205  1
  N  N51  1  0.91197335  0.84614333  0.13262338  1
  N  N52  1  0.84388339  0.91386870  0.63550600  1
  N  N53  1  0.08803801  0.15385283  0.86737551  1
  N  N54  1  0.11534244  0.05096622  0.26117203  1
  N  N55  1  0.94892467  0.88626074  0.23497104  1
  N  N56  1  0.88465322  0.94903966  0.73882462  1
  N  N57  1  0.05107959  0.11373901  0.76502837  1
  N  N58  1  0.19475874  0.05279962  0.16680793  1
  N  N59  1  0.94862434  0.80509602  0.32868057  1
  N  N60  1  0.80524174  0.94720153  0.83319198  1
  N  N61  1  0.05137372  0.19490659  0.67132084  1
  O  O62  1  0.92791591  0.11262987  0.06633259  1
  O  O63  1  0.88321805  0.06900688  0.43368195  1
  O  O64  1  0.07208303  0.88737202  0.93366456  1
  O  O65  1  0.11677951  0.93099874  0.56631761  1
  O  O66  1  0.69641318  0.15033036  0.24679684  1
  O  O67  1  0.84864016  0.30446851  0.25392195  1
  O  O68  1  0.30358600  0.84966656  0.75320549  1
  O  O69  1  0.15135748  0.69553423  0.74607640  1
  O  O70  1  0.65245898  0.08479653  0.06080227  1
  O  O71  1  0.91866364  0.34746903  0.43756814  1
  O  O72  1  0.34754522  0.91518759  0.93920136  1
  O  O73  1  0.08133047  0.65253402  0.56243017  1
