# generated using pymatgen
data_CrCoH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40538125
_cell_length_b   9.52276757
_cell_length_c   9.52659166
_cell_angle_alpha   81.78403758
_cell_angle_beta   75.40447143
_cell_angle_gamma   75.80240987
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoH20C28(N3O2)4
_chemical_formula_sum   'Cr1 Co1 H20 C28 N12 O8'
_cell_volume   797.49881048
_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  0.73882904  0.95019556  0.71452623  1
  Co  Co1  1  0.23924721  0.70702101  0.95310316  1
  H  H2  1  0.38673550  0.01386176  0.61212473  1
  H  H3  1  0.88839157  0.61292717  0.02553219  1
  H  H4  1  0.59814282  0.48775634  0.77875084  1
  H  H5  1  0.10451881  0.77176645  0.48427238  1
  H  H6  1  0.87239578  0.87720935  0.17897632  1
  H  H7  1  0.36812447  0.17910902  0.88220236  1
  H  H8  1  0.07793840  0.30968223  0.24800318  1
  H  H9  1  0.57920261  0.24516928  0.29625777  1
  H  H10  1  0.59034002  0.92435347  0.08409813  1
  H  H11  1  0.08540514  0.08840031  0.92431792  1
  H  H12  1  0.96176982  0.11211479  0.40542455  1
  H  H13  1  0.46678980  0.40746229  0.10095880  1
  H  H14  1  0.78795091  0.62968231  0.53678770  1
  H  H15  1  0.29460976  0.53095839  0.62193544  1
  H  H16  1  0.21099331  0.03088557  0.44938480  1
  H  H17  1  0.71015404  0.45543450  0.03232122  1
  H  H18  1  0.31101092  0.98432676  0.18707582  1
  H  H19  1  0.80644368  0.19366472  0.98226233  1
  H  H20  1  0.98600972  0.56697805  0.30893147  1
  H  H21  1  0.49043738  0.30317718  0.55476612  1
  C  C22  1  0.42853742  0.99410579  0.49780356  1
  C  C23  1  0.92906619  0.49962082  0.00234945  1
  C  C24  1  0.44496279  0.89929374  0.86400004  1
  C  C25  1  0.94068633  0.86766683  0.90252272  1
  C  C26  1  0.54939604  0.74926356  0.83279902  1
  C  C27  1  0.04062535  0.82495363  0.75337127  1
  C  C28  1  0.98957821  0.33604328  0.34559867  1
  C  C29  1  0.49277986  0.34321109  0.32433724  1
  C  C30  1  0.54366362  0.94284299  0.19819525  1
  C  C31  1  0.03958343  0.20185872  0.94477405  1
  C  C32  1  0.82244562  0.26112455  0.56113023  1
  C  C33  1  0.32792169  0.56075384  0.25333381  1
  C  C34  1  0.93020418  0.22425384  0.43365301  1
  C  C35  1  0.43469635  0.43365098  0.21395352  1
  C  C36  1  0.82829888  0.51849598  0.50665791  1
  C  C37  1  0.33467844  0.50203814  0.51012621  1
  C  C38  1  0.77212815  0.40564729  0.59569922  1
  C  C39  1  0.27915420  0.59253373  0.39878360  1
  C  C40  1  0.63908530  0.93205823  0.29232120  1
  C  C41  1  0.13654729  0.29355765  0.93818375  1
  C  C42  1  0.33225141  0.00359267  0.40519625  1
  C  C43  1  0.83109318  0.40971690  0.00680023  1
  C  C44  1  0.38861247  0.97829875  0.25692274  1
  C  C45  1  0.88504684  0.26208557  0.97882477  1
  C  C46  1  0.93852139  0.48148444  0.38064164  1
  C  C47  1  0.44321794  0.37619680  0.47064472  1
  C  C48  1  0.58342353  0.95801273  0.43899830  1
  C  C49  1  0.08375446  0.43914814  0.96771655  1
  N  N50  1  0.83309525  0.91556156  0.39579153  1
  N  N51  1  0.33298558  0.39306023  0.92634661  1
  N  N52  1  0.64798829  0.26406814  0.76747690  1
  N  N53  1  0.15449225  0.76638900  0.26065245  1
  N  N54  1  0.70886525  0.94533944  0.49799266  1
  N  N55  1  0.21086472  0.49489127  0.95778297  1
  N  N56  1  0.66583693  0.39884336  0.72383707  1
  N  N57  1  0.17483967  0.72119330  0.39503741  1
  N  N58  1  0.74325561  0.17798838  0.67224353  1
  N  N59  1  0.24864693  0.67363248  0.17316554  1
  N  N60  1  0.79276065  0.90473860  0.27450074  1
  N  N61  1  0.29003869  0.27286883  0.91327522  1
  O  O62  1  0.49075365  0.63956566  0.87009100  1
  O  O63  1  0.97352648  0.86394037  0.64708292  1
  O  O64  1  0.50885473  0.00749416  0.81827447  1
  O  O65  1  0.99773989  0.82674840  0.01221833  1
  O  O66  1  0.30974857  0.90648251  0.92843665  1
  O  O67  1  0.80663265  0.93988567  0.90415109  1
  O  O68  1  0.68628213  0.74854866  0.76951027  1
  O  O69  1  0.17403267  0.75647064  0.74614190  1
