# generated using pymatgen
data_CrCoH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40287501
_cell_length_b   9.52197018
_cell_length_c   9.52551914
_cell_angle_alpha   81.77994453
_cell_angle_beta   75.40459077
_cell_angle_gamma   75.79762334
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoH20C28(N3O2)4
_chemical_formula_sum   'Cr1 Co1 H20 C28 N12 O8'
_cell_volume   797.10948631
_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
  Co  Co0  1  0.74011216  0.95220065  0.71063607  1
  Cr  Cr1  1  0.23859894  0.71439457  0.94810080  1
  H  H2  1  0.38939633  0.01405443  0.61110741  1
  H  H3  1  0.88846851  0.61311962  0.02501241  1
  H  H4  1  0.59693224  0.48864956  0.77645210  1
  H  H5  1  0.10483983  0.77237023  0.48372068  1
  H  H6  1  0.87182946  0.87645290  0.17860032  1
  H  H7  1  0.36839425  0.17976246  0.88235143  1
  H  H8  1  0.07723704  0.30910371  0.24866074  1
  H  H9  1  0.57958079  0.24445605  0.29648970  1
  H  H10  1  0.59061754  0.92458318  0.08378927  1
  H  H11  1  0.08563957  0.08934934  0.92410531  1
  H  H12  1  0.96061874  0.11219122  0.40835302  1
  H  H13  1  0.46721328  0.40772574  0.10064117  1
  H  H14  1  0.78784484  0.63019000  0.53671835  1
  H  H15  1  0.29406680  0.53141916  0.62094968  1
  H  H16  1  0.21182801  0.03081294  0.44973032  1
  H  H17  1  0.70918160  0.45518795  0.03317946  1
  H  H18  1  0.31098042  0.98466426  0.18677430  1
  H  H19  1  0.80670460  0.19278983  0.98222430  1
  H  H20  1  0.98578568  0.56724996  0.30867729  1
  H  H21  1  0.48988547  0.30287793  0.55530375  1
  C  C22  1  0.43013735  0.99388440  0.49688330  1
  C  C23  1  0.92843586  0.49956047  0.00259300  1
  C  C24  1  0.43940441  0.90278225  0.86673285  1
  C  C25  1  0.94919456  0.86330041  0.90053987  1
  C  C26  1  0.53989450  0.75136989  0.83608886  1
  C  C27  1  0.04813641  0.82222678  0.75049154  1
  C  C28  1  0.98895366  0.33591951  0.34631768  1
  C  C29  1  0.49311682  0.34264700  0.32431863  1
  C  C30  1  0.54382344  0.94306088  0.19783126  1
  C  C31  1  0.03943882  0.20253635  0.94523761  1
  C  C32  1  0.82084681  0.26181661  0.56217058  1
  C  C33  1  0.32827088  0.56043577  0.25243143  1
  C  C34  1  0.92922800  0.22476073  0.43514102  1
  C  C35  1  0.43527706  0.43349430  0.21371876  1
  C  C36  1  0.82812174  0.51899672  0.50655473  1
  C  C37  1  0.33466048  0.50196843  0.50931108  1
  C  C38  1  0.77149387  0.40654894  0.59572936  1
  C  C39  1  0.27881961  0.59251740  0.39777697  1
  C  C40  1  0.63952463  0.93200460  0.29165985  1
  C  C41  1  0.13659007  0.29442776  0.93828370  1
  C  C42  1  0.33310868  0.00356653  0.40500670  1
  C  C43  1  0.83020550  0.40955367  0.00736523  1
  C  C44  1  0.38877744  0.97831255  0.25655258  1
  C  C45  1  0.88460821  0.26202005  0.97936911  1
  C  C46  1  0.93823509  0.48177608  0.38051990  1
  C  C47  1  0.44312218  0.37579766  0.47061347  1
  C  C48  1  0.58522416  0.95734696  0.43842607  1
  C  C49  1  0.08311790  0.43976286  0.96803559  1
  N  N50  1  0.83410128  0.91434774  0.39539801  1
  N  N51  1  0.33278822  0.39445526  0.92564430  1
  N  N52  1  0.64645913  0.26480693  0.76747039  1
  N  N53  1  0.15382390  0.76615504  0.25991796  1
  N  N54  1  0.71080919  0.94328759  0.49725353  1
  N  N55  1  0.20964625  0.49686980  0.95780700  1
  N  N56  1  0.66587344  0.40018945  0.72388437  1
  N  N57  1  0.17459005  0.72163986  0.39341716  1
  N  N58  1  0.74077363  0.17920761  0.67276911  1
  N  N59  1  0.25006178  0.67391882  0.17128202  1
  N  N60  1  0.79284814  0.90446533  0.27323088  1
  N  N61  1  0.29031411  0.27467436  0.91259616  1
  O  O62  1  0.46997591  0.64607076  0.87567962  1
  O  O63  1  0.98757979  0.85853174  0.64280782  1
  O  O64  1  0.49933881  0.01100366  0.82604478  1
  O  O65  1  1.01370438  0.81616055  0.00781011  1
  O  O66  1  0.30130507  0.90742339  0.92978712  1
  O  O67  1  0.81757276  0.93686165  0.90893082  1
  O  O68  1  0.67569754  0.74111545  0.77411159  1
  O  O69  1  0.18385428  0.75417164  0.74824035  1
