# generated using pymatgen
data_CrNiH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85831873
_cell_length_b   11.62179858
_cell_length_c   12.28602579
_cell_angle_alpha   118.36119461
_cell_angle_beta   100.17573650
_cell_angle_gamma   89.89721888
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiH28C32(NO3)4
_chemical_formula_sum   'Cr1 Ni1 H28 C32 N4 O12'
_cell_volume   967.46604623
_cell_formula_units_Z   1
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  0.99999895  0.99999942  0.49999879  1
  Ni  Ni1  1  0.50000247  0.50000059  0.50000130  1
  H  H2  1  0.83477154  0.90668759  0.61476515  1
  H  H3  1  0.66042124  0.28671458  0.38150737  1
  H  H4  1  0.16522734  0.09331184  0.38523330  1
  H  H5  1  0.33958233  0.71328651  0.61849431  1
  H  H6  1  0.02467569  0.84797944  0.61073641  1
  H  H7  1  0.47415280  0.23410461  0.38571717  1
  H  H8  1  0.97532428  0.15202062  0.38926258  1
  H  H9  1  0.52585018  0.76589630  0.61428421  1
  H  H10  1  0.76648285  0.94323970  0.25687418  1
  H  H11  1  0.72901806  0.68739779  0.74399468  1
  H  H12  1  0.23351582  0.05676004  0.74312384  1
  H  H13  1  0.27098421  0.31260447  0.25601187  1
  H  H14  1  0.57836649  0.75513690  0.07853548  1
  H  H15  1  0.91736680  0.67864160  0.92273431  1
  H  H16  1  0.42163383  0.24486283  0.92146050  1
  H  H17  1  0.08263122  0.32135785  0.07727253  1
  H  H18  1  0.79454347  0.51257987  0.24041799  1
  H  H19  1  0.70664030  0.27232822  0.75724841  1
  H  H20  1  0.20545021  0.48741899  0.75957874  1
  H  H21  1  0.29336048  0.72766960  0.24275068  1
  H  H22  1  0.98550774  0.70554115  0.40444503  1
  H  H23  1  0.51620801  0.30254453  0.59344886  1
  H  H24  1  0.01448620  0.29445771  0.59555341  1
  H  H25  1  0.48379497  0.69745632  0.40655039  1
  H  H26  1  0.57300469  0.41199288  0.05586527  1
  H  H27  1  0.92894082  0.35555483  0.94195050  1
  H  H28  1  0.42699198  0.58800677  0.94413070  1
  H  H29  1  0.07105687  0.64444249  0.05805120  1
  C  C30  1  0.76935391  0.84570432  0.24847015  1
  C  C31  1  0.72788009  0.59776582  0.75134217  1
  C  C32  1  0.23064420  0.15429504  0.75152730  1
  C  C33  1  0.27212177  0.40223526  0.24866250  1
  C  C34  1  0.66308843  0.74031869  0.15033956  1
  C  C35  1  0.83444900  0.59117670  0.85007178  1
  C  C36  1  0.33690989  0.25968095  0.84965731  1
  C  C37  1  0.16555050  0.40882294  0.14993298  1
  C  C38  1  0.66724578  0.61628678  0.14553755  1
  C  C39  1  0.83244189  0.47157830  0.85409147  1
  C  C40  1  0.33275078  0.38371279  0.85445906  1
  C  C41  1  0.16755754  0.52842031  0.14591115  1
  C  C42  1  0.78524575  0.60632987  0.24059432  1
  C  C43  1  0.71572064  0.36627450  0.75790821  1
  C  C44  1  0.21474932  0.39366915  0.75940268  1
  C  C45  1  0.28428017  0.63372423  0.24209260  1
  C  C46  1  0.89059842  0.71504892  0.33367845  1
  C  C47  1  0.61053247  0.38266458  0.66509148  1
  C  C48  1  0.10939715  0.28494962  0.66631893  1
  C  C49  1  0.38947020  0.61733559  0.33490953  1
  C  C50  1  0.62240313  0.03330835  0.50039267  1
  C  C51  1  0.87730367  0.53389393  0.49845081  1
  C  C52  1  0.37759476  0.96669218  0.49960780  1
  C  C53  1  0.12269968  0.46610786  0.50155176  1
  C  C54  1  0.55500767  0.94459833  0.54033693  1
  C  C55  1  0.94426056  0.40425427  0.45935031  1
  C  C56  1  0.44499052  0.05540249  0.45966376  1
  C  C57  1  0.05574272  0.59574749  0.54065190  1
  C  C58  1  0.55888912  0.50173870  0.04867453  1
  C  C59  1  0.94150259  0.45329082  0.95071934  1
  C  C60  1  0.44110747  0.49826096  0.95132156  1
  C  C61  1  0.05849584  0.54670686  0.04928307  1
  N  N62  1  0.88140592  0.83494791  0.34083598  1
  N  N63  1  0.61876555  0.49480637  0.65837010  1
  N  N64  1  0.11859128  0.16505076  0.65916143  1
  N  N65  1  0.38123751  0.50519491  0.34163287  1
  O  O66  1  0.96064291  0.92335116  0.61296779  1
  O  O67  1  0.53642074  0.30562562  0.38151402  1
  O  O68  1  0.03935559  0.07664782  0.38702980  1
  O  O69  1  0.46358293  0.69437562  0.61848834  1
  O  O70  1  0.77209523  0.08370605  0.51024002  1
  O  O71  1  0.73250734  0.57756537  0.48759971  1
  O  O72  1  0.22790237  0.91629286  0.48975755  1
  O  O73  1  0.26749597  0.42243655  0.51240340  1
  O  O74  1  0.62874935  0.88657896  0.59837764  1
  O  O75  1  0.87511135  0.28722155  0.40240315  1
  O  O76  1  0.37124963  0.11342163  0.40162249  1
  O  O77  1  0.12489190  0.71278000  0.59759636  1
