data_global
_amcsd_formula_title 'NaC7H4NO2S2.H2O'
loop_
_publ_author_name
'Penavic M'
'Jovanovski G'
'Grupce O'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 2341
_journal_page_last 2344
_publ_section_title
;
 Structure of sodium thiosaccharinate monohydrate
;
_database_code_amcsd 0010237
_chemical_formula_sum 'Na S2 O3 C7 N H6'
_cell_length_a 7.499
_cell_length_b 26.895
_cell_length_c 4.705
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 948.931
_exptl_crystal_density_diffrn      1.675
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na   0.68610   0.24620   0.00330   0.02880
S1   0.41600   0.18180   0.49860   0.02190
S2   0.87260   0.11160   0.25750   0.04520
O1   0.43310   0.22090   0.71190   0.02820
O2   0.26690   0.18880   0.31020   0.03080
C1   0.41080   0.12260   0.65570   0.02100
C2   0.28810   0.10110   0.83220   0.03180
C3   0.32420   0.05330   0.92840   0.03880
C4   0.47730   0.02870   0.84850   0.03650
C5   0.59860   0.05070   0.67040   0.03440
C6   0.56750   0.09830   0.57480   0.02610
C7   0.67490   0.13090   0.38050   0.02840
N   0.60540   0.17560   0.32840   0.02650
O3w   0.44600   0.29780   0.18150   0.03440
HC2   0.19200   0.11600   0.87600   0.50000
HC3   0.24100   0.03600   0.05300   0.50000
HC4   0.50800  -0.00700   0.90500   0.50000
HC5   0.69400   0.03500   0.61600   0.50000
H1O3w   0.41300   0.32400   0.06200   0.87000
H2O3w   0.48400   0.31400   0.36000   0.87000