data_global
_amcsd_formula_title 'H12 Mg O9 S2'
loop_
_publ_author_name
'Elerman Y'
'Bats J'
'Fuess H'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 39 
_journal_year 1983
_journal_page_first 515
_journal_page_last 518
_publ_section_title
;
 Deformation Density in Complex Anions. IV. Magnesium Thiosulfate
 Hexahydrate, Mg S2 O3 * 6H2 O
 _cod_database_code 1100079
;
_database_code_amcsd 0018254
_chemical_formula_sum 'Mg S2 O9 H12'
_cell_length_a 9.324
_cell_length_b 14.461
_cell_length_c 6.862
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 925.233
_exptl_crystal_density_diffrn      1.755
_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   0.04105   0.25000   0.43971
S2   0.21639   0.25000   0.61200
O1  -0.04325   0.16579   0.47767
O2   0.09132   0.25000   0.23491
O3  -0.15484   0.08130   0.14755
O4   0.12791   0.11387  -0.03032
O5  -0.09855   0.02614  -0.25936
H1   0.87700   0.10470   0.25120
H2   0.81290   0.12310   0.07930
H3   0.12780   0.15420   0.06290
H4   0.15210   0.14420   0.86180
H5   0.91660   0.06800   0.66460
H6   0.83520   0.99860   0.70760