# generated using pymatgen
data_CrFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86288178
_cell_length_b   10.85662249
_cell_length_c   10.85675683
_cell_angle_alpha   89.23808059
_cell_angle_beta   89.03969855
_cell_angle_gamma   63.79506618
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeNiH8C14(NO)6
_chemical_formula_sum   'Cr2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1148.59951816
_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
  Cr  Cr0  1  0.90220807  0.09678978  0.24823694  1
  Cr  Cr1  1  0.09779031  0.90321280  0.75176186  1
  Ni  Ni2  1  0.85454499  0.98379586  -0.00608892  1
  Fe  Fe3  1  0.00762034  0.14505863  0.50732330  1
  Ni  Ni4  1  0.14545857  0.01620190  1.00608707  1
  Fe  Fe5  1  0.99237648  0.85494674  0.49267636  1
  H  H6  1  0.53661609  0.16783357  0.41436646  1
  H  H7  1  0.83081833  0.46375943  0.08537862  1
  H  H8  1  0.46338583  0.83215617  0.58563845  1
  H  H9  1  0.16918688  0.53624175  0.91461838  1
  H  H10  1  0.33237473  0.15458787  0.51065387  1
  H  H11  1  0.84244801  0.66770504  0.98734982  1
  H  H12  1  0.66762082  0.84541102  0.48934708  1
  H  H13  1  0.15755867  0.33229640  0.01264815  1
  H  H14  1  0.42630861  0.07416388  0.05694004  1
  H  H15  1  0.92948226  0.57563615  0.43993947  1
  H  H16  1  0.57369268  0.92583358  0.94306178  1
  H  H17  1  0.07050999  0.42437004  0.56006126  1
  H  H18  1  0.87757343  0.20688955  0.04212643  1
  H  H19  1  0.78762220  0.12099024  0.45563794  1
  H  H20  1  0.12242716  0.79311189  0.95787246  1
  H  H21  1  0.21237460  0.87901469  0.54435978  1
  C  C22  1  0.62629814  0.11648548  0.17447002  1
  C  C23  1  0.88398289  0.37517531  0.32495359  1
  C  C24  1  0.37370409  0.88350469  0.82553301  1
  C  C25  1  0.11601363  0.62482768  0.67504468  1
  C  C26  1  0.49817723  0.11714769  0.22975681  1
  C  C27  1  0.88322429  0.50268975  0.26879076  1
  C  C28  1  0.50182480  0.88284404  0.77024670  1
  C  C29  1  0.11677433  0.49731289  0.73120847  1
  C  C30  1  0.46853639  0.14313765  0.35756970  1
  C  C31  1  0.85606341  0.53220256  0.14129078  1
  C  C32  1  0.53146539  0.85685424  0.64243348  1
  C  C33  1  0.14393990  0.46779890  0.85870737  1
  C  C34  1  0.35458160  0.13677607  0.41247236  1
  C  C35  1  0.86137602  0.64624375  0.08530128  1
  C  C36  1  0.64541706  0.86322060  0.58752906  1
  C  C37  1  0.13862949  0.35375689  0.91469716  1
  C  C38  1  0.26851434  0.10549234  0.33779362  1
  C  C39  1  0.89306033  0.73362203  0.15814682  1
  C  C40  1  0.73148374  0.89450673  0.66220643  1
  C  C41  1  0.10694512  0.26637794  0.84185244  1
  C  C42  1  0.29430904  0.08350776  0.21079266  1
  C  C43  1  0.91742545  0.70636585  0.28451088  1
  C  C44  1  0.70569121  0.91648913  0.78920799  1
  C  C45  1  0.08257349  0.29363752  0.71548979  1
  C  C46  1  0.40873529  0.09015111  0.15542908  1
  C  C47  1  0.91162885  0.59254832  0.34157194  1
  C  C48  1  0.59126606  0.90984368  0.84457271  1
  C  C49  1  0.08836730  0.40745581  0.65842818  1
  N  N50  1  0.15398560  0.08665108  0.36468169  1
  N  N51  1  0.91038266  0.84957594  0.13105707  1
  N  N52  1  0.84600873  0.91335353  0.63531609  1
  N  N53  1  0.08962624  0.15042251  0.86894178  1
  N  N54  1  0.10958728  0.05580781  0.26034880  1
  N  N55  1  0.94461242  0.89179312  0.23454576  1
  N  N56  1  0.89040804  0.94419709  0.73964862  1
  N  N57  1  0.05539200  0.10820768  0.76545356  1
  N  N58  1  0.19153120  0.05504546  0.16582019  1
  N  N59  1  0.94730040  0.80776072  0.32883611  1
  N  N60  1  0.80846722  0.94495627  0.83417830  1
  N  N61  1  0.05269721  0.19224325  0.67116449  1
  O  O62  1  0.92552300  0.11103259  0.06833854  1
  O  O63  1  0.88402443  0.07066811  0.43148170  1
  O  O64  1  0.07447701  0.88896803  0.93166006  1
  O  O65  1  0.11597277  0.92933736  0.56851737  1
  O  O66  1  0.70041518  0.14687874  0.24818300  1
  O  O67  1  0.85348770  0.29994102  0.25283537  1
  O  O68  1  0.29958483  0.85311833  0.75181647  1
  O  O69  1  0.14650924  0.70006275  0.74716117  1
  O  O70  1  0.65365178  0.08560065  0.06185892  1
  O  O71  1  0.91580750  0.34864792  0.43748982  1
  O  O72  1  0.34635325  0.91438271  0.93814561  1
  O  O73  1  0.08418688  0.65135676  0.56250956  1
