# generated using pymatgen
data_CrH20C18S2(N2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32836630
_cell_length_b   10.22428109
_cell_length_c   10.51191302
_cell_angle_alpha   107.10753004
_cell_angle_beta   99.82453592
_cell_angle_gamma   103.12615637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH20C18S2(N2O3)2
_chemical_formula_sum   'Cr1 H20 C18 S2 N4 O6'
_cell_volume   515.40193369
_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  0.49999920  0.49999924  0.00000075  1
  H  H1  1  0.36340528  0.86118838  0.27589550  1
  H  H2  1  0.63659245  0.13881191  0.72410241  1
  H  H3  1  0.25045937  0.08197610  0.38340714  1
  H  H4  1  0.74953902  0.91802471  0.61659150  1
  H  H5  1  0.72250945  0.30867243  0.19380895  1
  H  H6  1  0.27749401  0.69132896  0.80619268  1
  H  H7  1  0.87199202  0.09852355  0.08628081  1
  H  H8  1  0.12800769  0.90147693  0.91371816  1
  H  H9  1  0.17959068  0.28573958  0.35695302  1
  H  H10  1  0.82041407  0.71426254  0.64305000  1
  H  H11  1  0.35811537  0.37654357  0.26373753  1
  H  H12  1  0.64188797  0.62345902  0.73626510  1
  H  H13  1  0.76109157  0.47723501  0.46599344  1
  H  H14  1  0.23891315  0.52276695  0.53400838  1
  H  H15  1  0.57988745  0.38761019  0.55703501  1
  H  H16  1  0.42011717  0.61239159  0.44296704  1
  H  H17  1  0.87762305  0.67358889  0.96885819  1
  H  H18  1  0.12237198  0.32640876  0.03114102  1
  H  H19  1  0.94361922  0.52211531  0.89169819  1
  H  H20  1  0.05637829  0.47788216  0.10830342  1
  C  C21  1  0.67356643  0.82261115  0.09071072  1
  C  C22  1  0.32643025  0.17738834  0.90928725  1
  C  C23  1  0.62293712  0.95825145  0.16777470  1
  C  C24  1  0.37706054  0.04174878  0.83222341  1
  C  C25  1  0.45099605  0.95744464  0.25499523  1
  C  C26  1  0.54900201  0.04255596  0.74500322  1
  C  C27  1  0.38265759  0.07881363  0.31481893  1
  C  C28  1  0.61734152  0.92118725  0.68517999  1
  C  C29  1  0.65377076  0.20718513  0.20943542  1
  C  C30  1  0.34623136  0.79281596  0.79056507  1
  C  C31  1  0.73251124  0.08873242  0.15032609  1
  C  C32  1  0.26748859  0.91126802  0.84967301  1
  C  C33  1  0.37834955  0.32673038  0.34259282  1
  C  C34  1  0.62165462  0.67327175  0.65740945  1
  C  C35  1  0.55972975  0.43777601  0.47798627  1
  C  C36  1  0.44027523  0.56222606  0.52201601  1
  C  C37  1  0.12809130  0.35357836  0.71883873  1
  C  C38  1  0.87190523  0.64641982  0.28115991  1
  S  S39  1  1.01181102  0.21510669  0.58225659  1
  S  S40  1  -0.01181276  0.78489579  0.41773962  1
  N  N41  1  0.21324225  0.45789931  0.82214279  1
  N  N42  1  0.78675676  0.54209946  0.17785940  1
  N  N43  1  0.47338387  0.20085201  0.28726699  1
  N  N44  1  0.52661981  0.79914987  0.71273420  1
  O  O45  1  0.48901400  0.70523572  0.06909646  1
  O  O46  1  0.51098539  0.29476391  0.93090525  1
  O  O47  1  0.88272211  0.82943387  0.04920910  1
  O  O48  1  0.11727132  0.17056479  0.95078577  1
  O  O49  1  0.80107991  0.56581237  0.91492869  1
  O  O50  1  0.19891731  0.43418486  0.08507290  1
