# generated using pymatgen
data_CrFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87470019
_cell_length_b   10.87284159
_cell_length_c   10.86908288
_cell_angle_alpha   89.16641873
_cell_angle_beta   88.92381802
_cell_angle_gamma   63.70501694
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeNiH8C14(NO)6
_chemical_formula_sum   'Cr2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1151.93684405
_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  0.90567018  0.09673048  0.25485601  1
  Ni  Ni1  1  0.09432976  0.90327133  0.74514231  1
  Cr  Cr2  1  0.85733462  0.99004202  -0.00601782  1
  Fe  Fe3  1  0.00649564  0.14335029  0.50534938  1
  Cr  Cr4  1  0.14266693  0.00995524  1.00601884  1
  Fe  Fe5  1  0.99350137  0.85665522  0.49465054  1
  H  H6  1  0.54144452  0.16830543  0.41128519  1
  H  H7  1  0.82947417  0.46221393  0.08601393  1
  H  H8  1  0.45855909  0.83168399  0.58871902  1
  H  H9  1  0.17053075  0.53778616  0.91398321  1
  H  H10  1  0.33745132  0.15585189  0.50887590  1
  H  H11  1  0.84112734  0.66579017  0.98634298  1
  H  H12  1  0.66254670  0.84414617  0.49112573  1
  H  H13  1  0.15888046  0.33420933  0.01365482  1
  H  H14  1  0.42805334  0.07693692  0.05415466  1
  H  H15  1  0.92828453  0.57511931  0.43925224  1
  H  H16  1  0.57194770  0.92305837  0.94584785  1
  H  H17  1  0.07170762  0.42488614  0.56074781  1
  H  H18  1  0.89273375  0.20636940  0.04688747  1
  H  H19  1  0.78298781  0.12031654  0.45642106  1
  H  H20  1  0.10726652  0.79363116  0.95310829  1
  H  H21  1  0.21700950  0.87968786  0.54357496  1
  C  C22  1  0.63134439  0.11550690  0.17318826  1
  C  C23  1  0.88329632  0.37470066  0.32375030  1
  C  C24  1  0.36865765  0.88448592  0.82681444  1
  C  C25  1  0.11669938  0.62530337  0.67624818  1
  C  C26  1  0.50337645  0.11637581  0.22717572  1
  C  C27  1  0.88240264  0.50223831  0.26805667  1
  C  C28  1  0.49662543  0.88361747  0.77282711  1
  C  C29  1  0.11759486  0.49776503  0.73194204  1
  C  C30  1  0.47389901  0.14286471  0.35514648  1
  C  C31  1  0.85492954  0.53089638  0.14080996  1
  C  C32  1  0.52610345  0.85712743  0.64485673  1
  C  C33  1  0.14507303  0.46910481  0.85918806  1
  C  C34  1  0.36031259  0.13707728  0.41106830  1
  C  C35  1  0.86004484  0.64456183  0.08418736  1
  C  C36  1  0.63968719  0.86291902  0.58893376  1
  C  C37  1  0.13996050  0.35543817  0.91581087  1
  C  C38  1  0.27407214  0.10652511  0.33680409  1
  C  C39  1  0.89152342  0.73112931  0.15750058  1
  C  C40  1  0.72592649  0.89347400  0.66319708  1
  C  C41  1  0.10848187  0.26887004  0.84249829  1
  C  C42  1  0.29787574  0.08821283  0.20961750  1
  C  C43  1  0.91631024  0.70465753  0.28357996  1
  C  C44  1  0.70212398  0.91178497  0.79038380  1
  C  C45  1  0.08368931  0.29534495  0.71641985  1
  C  C46  1  0.41239786  0.09187320  0.15279334  1
  C  C47  1  0.91054294  0.59149279  0.34103590  1
  C  C48  1  0.58760344  0.90812159  0.84720903  1
  C  C49  1  0.08945240  0.40851112  0.65896381  1
  N  N50  1  0.16082747  0.08497359  0.36471389  1
  N  N51  1  0.91420813  0.84412632  0.13122376  1
  N  N52  1  0.83916750  0.91503124  0.63528515  1
  N  N53  1  0.08580133  0.15587031  0.86877438  1
  N  N54  1  0.11936885  0.05016319  0.26263473  1
  N  N55  1  0.95470740  0.88242986  0.23333956  1
  N  N56  1  0.88062682  0.94984123  0.73736373  1
  N  N57  1  0.04529585  0.11757040  0.76666025  1
  N  N58  1  0.19374581  0.06206347  0.16609006  1
  N  N59  1  0.95191090  0.80303764  0.32686523  1
  N  N60  1  0.80625213  0.93793884  0.83390924  1
  N  N61  1  0.04808769  0.19696551  0.67313485  1
  O  O62  1  0.93974188  0.10837572  0.06659541  1
  O  O63  1  0.88075922  0.06981676  0.43846312  1
  O  O64  1  0.06025747  0.89162521  0.93340223  1
  O  O65  1  0.11923873  0.93018828  0.56153599  1
  O  O66  1  0.70137144  0.15158879  0.24231050  1
  O  O67  1  0.85099615  0.30203187  0.25257186  1
  O  O68  1  0.29862955  0.84840690  0.75769051  1
  O  O69  1  0.14899975  0.69797212  0.74742626  1
  O  O70  1  0.66307109  0.07793971  0.05967975  1
  O  O71  1  0.91876133  0.34634573  0.43595852  1
  O  O72  1  0.33693035  0.92205304  0.94032300  1
  O  O73  1  0.08123294  0.65365916  0.56404056  1
