# generated using pymatgen
data_Cr2NiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.83379231
_cell_length_b   10.82173866
_cell_length_c   10.93069663
_cell_angle_alpha   88.75612637
_cell_angle_beta   88.69626356
_cell_angle_gamma   63.84289539
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiH8C14(NO)6
_chemical_formula_sum   'Cr4 Ni2 H16 C28 N12 O12'
_cell_volume   1149.88265996
_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  0.90765741  0.08452066  0.24313944  1
  Cr  Cr1  1  0.09234123  0.91548178  0.75686113  1
  Ni  Ni2  1  0.85773596  0.97728628  -0.00843448  1
  Cr  Cr3  1  0.00566002  0.14656963  0.51141434  1
  Ni  Ni4  1  0.14226365  0.02271340  1.00843365  1
  Cr  Cr5  1  0.99433616  0.85343443  0.48858602  1
  H  H6  1  0.53623407  0.17165161  0.40764874  1
  H  H7  1  0.83091161  0.45151113  0.08810833  1
  H  H8  1  0.46376993  0.82834195  0.59235257  1
  H  H9  1  0.16909176  0.54848881  0.91188934  1
  H  H10  1  0.33386368  0.15532212  0.50775635  1
  H  H11  1  0.84071546  0.65550476  0.98636476  1
  H  H12  1  0.66613888  0.84467431  0.49224553  1
  H  H13  1  0.15929360  0.34449359  0.01363241  1
  H  H14  1  0.42291090  0.07706349  0.05595132  1
  H  H15  1  0.92256503  0.57184762  0.43835017  1
  H  H16  1  0.57709106  0.92293282  0.94404956  1
  H  H17  1  0.07742835  0.42815537  0.56164925  1
  H  H18  1  0.87002326  0.20479321  0.03865158  1
  H  H19  1  0.79405079  0.09626731  0.44730432  1
  H  H20  1  0.12997656  0.79520496  0.96134723  1
  H  H21  1  0.20594482  0.90373526  0.55269444  1
  C  C22  1  0.62846695  0.11132361  0.17177082  1
  C  C23  1  0.88590357  0.36508498  0.32517068  1
  C  C24  1  0.37153401  0.88867382  0.82823083  1
  C  C25  1  0.11409424  0.63491776  0.67482969  1
  C  C26  1  0.49824764  0.11625452  0.22687679  1
  C  C27  1  0.88218697  0.49361740  0.26889736  1
  C  C28  1  0.50175382  0.88374143  0.77312451  1
  C  C29  1  0.11781204  0.50638452  0.73110209  1
  C  C30  1  0.46876665  0.14408384  0.35363297  1
  C  C31  1  0.85535104  0.52164438  0.14160038  1
  C  C32  1  0.53123585  0.85591162  0.64636857  1
  C  C33  1  0.14465156  0.47835499  0.85839754  1
  C  C34  1  0.35609943  0.13595643  0.41047074  1
  C  C35  1  0.86043544  0.63524444  0.08374425  1
  C  C36  1  0.64390231  0.86404021  0.58953096  1
  C  C37  1  0.13957014  0.36475383  0.91625364  1
  C  C38  1  0.27153224  0.10058520  0.33836900  1
  C  C39  1  0.89289932  0.72347424  0.15434956  1
  C  C40  1  0.72846836  0.89941289  0.66163208  1
  C  C41  1  0.10710400  0.27652522  0.84564903  1
  C  C42  1  0.29501830  0.08012967  0.21189049  1
  C  C43  1  0.91245478  0.69984259  0.28105224  1
  C  C44  1  0.70498197  0.91986899  0.78810970  1
  C  C45  1  0.08754436  0.30015964  0.71894792  1
  C  C46  1  0.40741152  0.09024199  0.15429283  1
  C  C47  1  0.90684328  0.58646588  0.34026959  1
  C  C48  1  0.59258999  0.90975526  0.84570905  1
  C  C49  1  0.09315359  0.41353717  0.65973098  1
  N  N50  1  0.16119124  0.07453954  0.36810992  1
  N  N51  1  0.91593706  0.83650759  0.12525912  1
  N  N52  1  0.83880842  0.92545970  0.63189062  1
  N  N53  1  0.08406539  0.16349159  0.87473929  1
  N  N54  1  0.11513714  0.04370569  0.26567700  1
  N  N55  1  0.94813266  0.88037950  0.22788763  1
  N  N56  1  0.88486179  0.95629525  0.73432301  1
  N  N57  1  0.05186450  0.11962393  0.77211102  1
  N  N58  1  0.19422809  0.04659729  0.16989339  1
  N  N59  1  0.94154917  0.80158177  0.32370582  1
  N  N60  1  0.80577133  0.95340332  0.83010681  1
  N  N61  1  0.05844684  0.19842226  0.67629297  1
  O  O62  1  0.92429014  0.10949243  0.06513158  1
  O  O63  1  0.89131737  0.05670627  0.42412600  1
  O  O64  1  0.07570916  0.89050753  0.93486805  1
  O  O65  1  0.10867809  0.94329799  0.57587485  1
  O  O66  1  0.70445049  0.13916378  0.24500621  1
  O  O67  1  0.85754748  0.28800684  0.25543336  1
  O  O68  1  0.29554898  0.86083636  0.75499329  1
  O  O69  1  0.14245162  0.71199575  0.74456520  1
  O  O70  1  0.65715502  0.07832637  0.06068368  1
  O  O71  1  0.91762373  0.33863157  0.43834786  1
  O  O72  1  0.34284592  0.92166749  0.93931583  1
  O  O73  1  0.08237134  0.66137195  0.56165165  1
