# generated using pymatgen
data_CrH11C9S2N3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20796188
_cell_length_b   8.91990008
_cell_length_c   9.17849493
_cell_angle_alpha   110.14842219
_cell_angle_beta   103.27718720
_cell_angle_gamma   89.99284603
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH11C9S2N3O2
_chemical_formula_sum   'Cr2 H22 C18 S4 N6 O4'
_cell_volume   611.71104895
_cell_formula_units_Z   2
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  0.66788771  0.89563814  0.52163006  1
  Cr  Cr1  1  0.33211197  0.10436179  0.47837172  1
  H  H2  1  0.98134548  0.48487373  0.63243765  1
  H  H3  1  0.01864464  0.51512944  0.36755433  1
  H  H4  1  0.72501609  0.58156692  0.01375746  1
  H  H5  1  0.27499202  0.41843130  0.98624628  1
  H  H6  1  0.80856858  0.22205985  0.49648936  1
  H  H7  1  0.19142549  0.77794175  0.50350510  1
  H  H8  1  0.56201658  0.31505909  0.86503339  1
  H  H9  1  0.43799223  0.68493929  0.13497303  1
  H  H10  1  0.77957495  0.05072491  0.89283880  1
  H  H11  1  0.22042612  0.94927056  0.10716790  1
  H  H12  1  0.68197748  0.92325370  0.96905278  1
  H  H13  1  0.31801837  0.07673889  0.03094750  1
  H  H14  1  0.56086345  0.05815521  0.89093702  1
  H  H15  1  0.43913672  0.94184191  0.10906651  1
  H  H16  1  0.93449085  0.78171993  0.02902040  1
  H  H17  1  0.06550242  0.21828484  0.97097250  1
  H  H18  1  0.93324306  0.79022359  0.83693319  1
  H  H19  1  0.06676178  0.20977495  0.16306005  1
  H  H20  1  0.09799051  0.70410093  0.93286443  1
  H  H21  1  0.90200885  0.29590169  0.06713931  1
  H  H22  1  0.53138682  0.78329520  0.71048212  1
  H  H23  1  0.46861313  0.21670291  0.28951733  1
  C  C24  1  0.05015285  0.01464634  0.67524197  1
  C  C25  1  0.94984739  0.98535367  0.32475768  1
  C  C26  1  0.88933445  0.45236388  0.68820875  1
  C  C27  1  0.11066038  0.54763703  0.31178553  1
  C  C28  1  0.67611450  0.52617335  0.34811848  1
  C  C29  1  0.32388551  0.47382651  0.65188164  1
  C  C30  1  0.74755649  0.50589135  0.89914127  1
  C  C31  1  0.25244815  0.49410836  0.10086033  1
  C  C32  1  0.86502103  0.55668556  0.83350976  1
  C  C33  1  0.13497861  0.44331538  0.16648676  1
  C  C34  1  0.79602509  0.30627861  0.61063594  1
  C  C35  1  0.20397113  0.69372195  0.38936007  1
  C  C36  1  0.65648815  0.35860408  0.81985875  1
  C  C37  1  0.34351699  0.64139552  0.18014447  1
  C  C38  1  0.66412058  0.98033839  0.87862583  1
  C  C39  1  0.33587873  0.01965761  0.12137731  1
  C  C40  1  0.96233772  0.71706294  0.91314595  1
  C  C41  1  0.03766136  0.28293823  0.08685023  1
  S  S42  1  0.24794090  0.08321730  0.72430987  1
  S  S43  1  0.75205947  0.91678345  0.27569204  1
  S  S44  1  0.66061603  0.33910634  0.23483856  1
  S  S45  1  0.33938244  0.66089436  0.76516103  1
  N  N46  1  0.90747031  0.96348201  0.63880884  1
  N  N47  1  0.09253027  0.03651805  0.36119090  1
  N  N48  1  0.68026517  0.26264200  0.67616856  1
  N  N49  1  0.31973504  0.73735797  0.32383162  1
  N  N50  1  0.68752014  0.66412719  0.42838441  1
  N  N51  1  0.31248034  0.33587350  0.57161695  1
  O  O52  1  0.57987244  0.11828688  0.59240572  1
  O  O53  1  0.42012828  0.88171248  0.40759712  1
  O  O54  1  0.62778317  0.85799075  0.72144635  1
  O  O55  1  0.37221704  0.14200797  0.27855495  1
