# generated using pymatgen
data_CoNiH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87078406
_cell_length_b   11.62945405
_cell_length_c   12.29568559
_cell_angle_alpha   118.36425647
_cell_angle_beta   100.16413727
_cell_angle_gamma   89.90138066
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiH28C32(NO3)4
_chemical_formula_sum   'Co1 Ni1 H28 C32 N4 O12'
_cell_volume   970.41014894
_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
  Ni  Ni0  1  0.99999899  0.99999946  0.49999869  1
  Co  Co1  1  0.50000280  0.50000026  0.50000270  1
  H  H2  1  0.84262596  0.90855068  0.62039369  1
  H  H3  1  0.65788553  0.28440136  0.37778728  1
  H  H4  1  0.15737275  0.09144817  0.37960429  1
  H  H5  1  0.34211731  0.71559923  0.62221347  1
  H  H6  1  0.02601192  0.84793085  0.61420211  1
  H  H7  1  0.47391670  0.22886587  0.38243653  1
  H  H8  1  0.97398754  0.15206865  0.38579616  1
  H  H9  1  0.52608606  0.77113475  0.61756440  1
  H  H10  1  0.76782077  0.94253393  0.25657884  1
  H  H11  1  0.73028344  0.68812238  0.74615268  1
  H  H12  1  0.23217745  0.05746596  0.74341920  1
  H  H13  1  0.26971880  0.31187957  0.25385362  1
  H  H14  1  0.57842184  0.75487212  0.07927315  1
  H  H15  1  0.91873695  0.67719644  0.92342839  1
  H  H16  1  0.42157841  0.24512812  0.92072330  1
  H  H17  1  0.08126153  0.32280345  0.07657863  1
  H  H18  1  0.79534270  0.51342400  0.24141074  1
  H  H19  1  0.70835352  0.27130876  0.75633300  1
  H  H20  1  0.20465132  0.48657512  0.75858612  1
  H  H21  1  0.29164715  0.72868917  0.24366630  1
  H  H22  1  0.98802499  0.70808310  0.40428310  1
  H  H23  1  0.51394464  0.30407989  0.59385212  1
  H  H24  1  0.01196921  0.29191560  0.59571474  1
  H  H25  1  0.48605868  0.69592066  0.40614764  1
  H  H26  1  0.57234838  0.41205011  0.05564793  1
  H  H27  1  0.92998705  0.35545597  0.94216433  1
  H  H28  1  0.42764790  0.58794922  0.94434820  1
  H  H29  1  0.07001170  0.64454142  0.05783801  1
  C  C30  1  0.76992231  0.84567396  0.24943473  1
  C  C31  1  0.72914061  0.59778923  0.75220928  1
  C  C32  1  0.23007510  0.15432560  0.75056319  1
  C  C33  1  0.27086170  0.40221209  0.24779586  1
  C  C34  1  0.66384022  0.74009749  0.15078231  1
  C  C35  1  0.83477822  0.59055528  0.85078292  1
  C  C36  1  0.33615823  0.25990227  0.84921480  1
  C  C37  1  0.16522202  0.40944449  0.14922228  1
  C  C38  1  0.66839754  0.61625580  0.14579643  1
  C  C39  1  0.83195660  0.47079265  0.85411354  1
  C  C40  1  0.33159879  0.38374360  0.85419993  1
  C  C41  1  0.16804280  0.52920572  0.14588881  1
  C  C42  1  0.78701354  0.60673354  0.24077771  1
  C  C43  1  0.71501071  0.36582090  0.75804037  1
  C  C44  1  0.21298132  0.39326549  0.75921938  1
  C  C45  1  0.28499018  0.63417787  0.24196040  1
  C  C46  1  0.89147960  0.71642513  0.33371749  1
  C  C47  1  0.60992709  0.38289657  0.66544313  1
  C  C48  1  0.10851539  0.28357376  0.66628014  1
  C  C49  1  0.39007558  0.61710364  0.33455792  1
  C  C50  1  0.62227003  0.03708866  0.50328961  1
  C  C51  1  0.87803681  0.53439285  0.49636519  1
  C  C52  1  0.37772838  0.96291236  0.49671053  1
  C  C53  1  0.12196591  0.46560881  0.50363712  1
  C  C54  1  0.55641692  0.94561452  0.54105807  1
  C  C55  1  0.94306631  0.40436298  0.45794484  1
  C  C56  1  0.44358198  0.05438675  0.45894255  1
  C  C57  1  0.05693657  0.59563860  0.54205770  1
  C  C58  1  0.55907817  0.50176258  0.04862239  1
  C  C59  1  0.94171411  0.45307141  0.95082112  1
  C  C60  1  0.44091864  0.49823701  0.95137391  1
  C  C61  1  0.05828395  0.54692591  0.04918083  1
  N  N62  1  0.87969566  0.83578423  0.34190678  1
  N  N63  1  0.62090683  0.49489524  0.65869112  1
  N  N64  1  0.12030101  0.16421497  0.65809116  1
  N  N65  1  0.37909726  0.50510629  0.34131214  1
  O  O66  1  0.96649985  0.92516655  0.61917118  1
  O  O67  1  0.53370621  0.30176804  0.37872223  1
  O  O68  1  0.03349892  0.07483240  0.38082631  1
  O  O69  1  0.46629657  0.69823280  0.62127905  1
  O  O70  1  0.76784162  0.09073027  0.51538508  1
  O  O71  1  0.73364719  0.57788443  0.48597834  1
  O  O72  1  0.23215736  0.90926940  0.48461310  1
  O  O73  1  0.26635565  0.42211702  0.51402385  1
  O  O74  1  0.62797978  0.89108967  0.60231187  1
  O  O75  1  0.87234360  0.28819648  0.39852662  1
  O  O76  1  0.37201913  0.10891128  0.39768807  1
  O  O77  1  0.12765910  0.71180479  0.60147270  1
