# generated using pymatgen
data_CrH16C26(N4O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04841755
_cell_length_b   7.31861744
_cell_length_c   13.71472201
_cell_angle_alpha   78.75593374
_cell_angle_beta   84.16999227
_cell_angle_gamma   68.46297713
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH16C26(N4O)2
_chemical_formula_sum   'Cr1 H16 C26 N8 O2'
_cell_volume   645.09391642
_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  0.00000354  0.99999692  1.00000012  1
  H  H1  1  0.80632022  0.39824390  0.99133156  1
  H  H2  1  0.19370243  0.60175274  0.00867076  1
  H  H3  1  0.88775802  0.78586801  0.66740760  1
  H  H4  1  0.11224643  0.21411897  0.33259093  1
  H  H5  1  0.84214763  0.68887200  0.51177251  1
  H  H6  1  0.15784353  0.31112847  0.48822491  1
  H  H7  1  0.18805456  0.88797939  0.57040360  1
  H  H8  1  0.81193936  0.11202797  0.42959812  1
  H  H9  1  0.23242274  0.99095860  0.72417285  1
  H  H10  1  0.76757995  0.00904175  0.27583100  1
  H  H11  1  0.94085765  0.53360374  0.83799991  1
  H  H12  1  0.05915847  0.46638172  0.16199666  1
  H  H13  1  0.72204338  0.47487622  0.81970185  1
  H  H14  1  0.27795375  0.52513208  0.18030338  1
  H  H15  1  0.97407812  0.30545351  0.79887873  1
  H  H16  1  0.02590618  0.69453802  0.20111973  1
  C  C17  1  0.56332658  0.88802436  0.71001577  1
  C  C18  1  0.43667579  0.11197432  0.28998414  1
  C  C19  1  0.73462770  0.80694381  0.64661937  1
  C  C20  1  0.26537281  0.19305223  0.35338021  1
  C  C21  1  0.70926208  0.74983791  0.56009718  1
  C  C22  1  0.29073248  0.25016420  0.43990145  1
  C  C23  1  0.51210827  0.77246629  0.53172850  1
  C  C24  1  0.48788388  0.22754001  0.46827147  1
  C  C25  1  0.34122173  0.86198974  0.59285250  1
  C  C26  1  0.65877306  0.13801521  0.40714888  1
  C  C27  1  0.36642082  0.91726964  0.67970904  1
  C  C28  1  0.63357865  0.08273466  0.32029183  1
  C  C29  1  0.57870517  0.94080950  0.80430685  1
  C  C30  1  0.42130116  0.05918488  0.19569328  1
  C  C31  1  0.75750341  0.94351971  0.83954705  1
  C  C32  1  0.24250272  0.05647665  0.16045286  1
  C  C33  1  0.41009625  0.96860719  0.87128092  1
  C  C34  1  0.58990985  0.03139011  0.12871923  1
  C  C35  1  0.48319611  0.71015762  0.44379348  1
  C  C36  1  0.51679334  0.28985151  0.55620613  1
  C  C37  1  0.64668569  0.61840620  0.38128441  1
  C  C38  1  0.35330167  0.38160540  0.61871509  1
  C  C39  1  0.28681559  0.73948663  0.41578466  1
  C  C40  1  0.71317561  0.26052499  0.58421330  1
  C  C41  1  0.87950191  0.41392178  0.84466105  1
  C  C42  1  0.12049896  0.58607376  0.15533916  1
  N  N43  1  0.90067868  0.94680473  0.87647358  1
  N  N44  1  0.09932705  0.05319086  0.12352667  1
  N  N45  1  0.26814989  0.98494161  0.92680538  1
  N  N46  1  0.73185743  0.01505119  0.07319508  1
  N  N47  1  0.78049235  0.54115420  0.32809512  1
  N  N48  1  0.21950074  0.45885502  0.67190464  1
  N  N49  1  0.12273325  0.76497278  0.39212539  1
  N  N50  1  0.87725588  0.23503746  0.60787187  1
  O  O51  1  0.89041764  0.30831510  0.94721555  1
  O  O52  1  0.10958782  0.69167907  0.05278427  1
