data_global
_amcsd_formula_title 'H12 Mg O9 S2'
loop_
_publ_author_name
'Baggio S'
'Amzel L'
'Becka L'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 25 
_journal_year 1969
_journal_page_first 2650
_journal_page_last 2653
_publ_section_title
;
 Refinement of the structure of magnesium thiosulphate hexahydrate, MgS2O3(H2O)6
 _cod_database_code 1100077
;
_database_code_amcsd 0018252
_chemical_formula_sum 'Mg S2 O9 H12'
_cell_length_a 9.397
_cell_length_b 14.455
_cell_length_c 6.864
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 932.362
_exptl_crystal_density_diffrn      1.742
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1   0.00000   0.00000   0.00000
S1   0.04110   0.25000   0.44060
S2   0.21490   0.25000   0.61180
O1  -0.04210   0.16620   0.47780
O2   0.09040   0.25000   0.23720
O3  -0.15450   0.08070   0.14690
O4   0.12700   0.11410  -0.02950
O5  -0.09820   0.02700  -0.25920
H1   0.87700   0.09900   0.23200
H2   0.81400   0.12200   0.08000
H3   0.12700   0.15000   0.06200
H4   0.14200   0.14200   0.87400
H5   0.89800   0.07400   0.65500
H6   0.82500   0.98500   0.70800