# generated using pymatgen
data_Cr2H26C36S(N2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08586222
_cell_length_b   11.22809941
_cell_length_c   13.24806537
_cell_angle_alpha   107.33432196
_cell_angle_beta   107.76901215
_cell_angle_gamma   90.01241127
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2H26C36S(N2O5)2
_chemical_formula_sum   'Cr2 H26 C36 S1 N4 O10'
_cell_volume   1087.86709661
_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  0.85775812  0.07356931  0.62279560  1
  Cr  Cr1  1  0.23496989  0.92647740  0.37722859  1
  H  H2  1  0.69202832  0.78999241  0.94624409  1
  H  H3  1  0.74572132  0.20994855  0.05372982  1
  H  H4  1  0.42351327  0.69572871  0.77945097  1
  H  H5  1  0.64397597  0.30408250  0.22051785  1
  H  H6  1  0.33425107  0.79511318  0.62932253  1
  H  H7  1  0.70499752  0.20468130  0.37064278  1
  H  H8  1  0.68793641  0.81141481  0.45673047  1
  H  H9  1  0.23109849  0.18867716  0.54330133  1
  H  H10  1  0.67495212  0.59337872  0.46035673  1
  H  H11  1  0.21440103  0.40666251  0.53957039  1
  H  H12  1  0.04840181  0.71981907  0.79310847  1
  H  H13  1  0.25548917  0.28019922  0.20693653  1
  H  H14  1  0.04818160  0.93363293  0.78001716  1
  H  H15  1  0.26843954  0.06644033  0.22013295  1
  H  H16  1  0.11053110  0.30655825  0.74333294  1
  H  H17  1  0.36721904  0.69356590  0.25663210  1
  H  H18  1  0.12408570  0.52688554  0.74284906  1
  H  H19  1  0.38134907  0.47326761  0.25713103  1
  H  H20  1  0.58737232  0.45364210  0.52812682  1
  H  H21  1  0.05952474  0.54631139  0.47193890  1
  H  H22  1  0.59299016  0.23456109  0.53215014  1
  H  H23  1  0.06100986  0.76538635  0.46788478  1
  H  H24  1  0.18907512  0.03162565  0.61418768  1
  H  H25  1  0.57496661  0.96845023  0.38581850  1
  H  H26  1  0.18260291  0.09529121  0.73809891  1
  H  H27  1  0.44449361  0.90480006  0.26191776  1
  C  C28  1  0.54179381  0.94605780  0.71102567  1
  C  C29  1  0.83076544  0.05380528  0.28891017  1
  C  C30  1  0.68505118  0.00289351  0.80671499  1
  C  C31  1  0.87829470  0.99700420  0.19320711  1
  C  C32  1  0.73734145  0.94221924  0.88777708  1
  C  C33  1  0.84949755  0.05771709  0.11216145  1
  C  C34  1  0.64598158  0.83203948  0.87936467  1
  C  C35  1  0.76654299  0.16786487  0.12058668  1
  C  C36  1  0.49827308  0.78070678  0.78733879  1
  C  C37  1  0.71087596  0.21913899  0.21261805  1
  C  C38  1  0.44627088  0.83719619  0.70362736  1
  C  C39  1  0.74264729  0.16263555  0.29631911  1
  C  C40  1  0.49221445  0.99516548  0.61431093  1
  C  C41  1  0.87794826  0.00477411  0.38566747  1
  C  C42  1  0.77972615  0.12933805  0.82819002  1
  C  C43  1  0.95156670  0.87061124  0.17174525  1
  C  C44  1  0.76725401  0.78844017  0.52972428  1
  C  C45  1  0.23746156  0.21163231  0.47030405  1
  C  C46  1  0.75734045  0.66679315  0.53292408  1
  C  C47  1  0.22435546  0.33325796  0.46705503  1
  C  C48  1  0.86089082  0.63745938  0.62756466  1
  C  C49  1  0.23342950  0.36258878  0.37244274  1
  C  C50  1  0.97150385  0.73594545  0.71587833  1
  C  C51  1  0.25579274  0.26409978  0.28417401  1
  C  C52  1  0.97040895  0.85638610  0.70908210  1
  C  C53  1  0.26150025  0.14368184  0.29102143  1
  C  C54  1  0.99840944  0.34179137  0.69499802  1
  C  C55  1  0.30351689  0.65831024  0.30500563  1
  C  C56  1  0.00364001  0.46524535  0.69601068  1
  C  C57  1  0.30777661  0.53486239  0.30399501  1
  C  C58  1  0.85707743  0.50854401  0.63234722  1
  C  C59  1  0.22493035  0.49150582  0.36766825  1
  C  C60  1  0.70723053  0.42276276  0.57290105  1
  C  C61  1  0.13457184  0.57723656  0.42715234  1
  C  C62  1  0.70888348  0.30118735  0.57713688  1
  C  C63  1  0.13192254  0.69880716  0.42289984  1
  S  S64  1  0.93186528  0.00002913  0.99998452  1
  N  N65  1  0.87083982  0.88380296  0.61691962  1
  N  N66  1  0.25397322  0.11627444  0.38316634  1
  N  N67  1  0.85461246  0.25848494  0.63334459  1
  N  N68  1  0.22139019  0.74156379  0.36667994  1
  O  O69  1  0.60014004  0.05856473  0.59276070  1
  O  O70  1  0.00734285  0.94132558  0.40718639  1
  O  O71  1  0.33094034  0.96903110  0.54915964  1
  O  O72  1  0.78193946  0.03101525  0.45088136  1
  O  O73  1  0.90924545  0.12316778  0.78506867  1
  O  O74  1  0.12421599  0.87687076  0.21494806  1
  O  O75  1  0.73490667  0.22565231  0.88199346  1
  O  O76  1  0.85301221  0.77424906  0.11787825  1
  O  O77  1  0.12393717  0.08846333  0.66003138  1
  O  O78  1  0.46393203  0.91163803  0.33998935  1
