data_global
_amcsd_formula_title 'H12 Mg O9 S2'
loop_
_publ_author_name
'Nardelli M'
'Fava G'
'Giraldi G'
_journal_name_full 'Acta Crystallographica'
_journal_volume 15 
_journal_year 1962
_journal_page_first 227
_journal_page_last 231
_publ_section_title
;
 The Crystal Structure of Magnesium Thiosulphate Hexahydrate
 _cod_database_code 1100072
;
_database_code_amcsd 0018247
_chemical_formula_sum 'Mg S2 O9'
_cell_length_a 9.32
_cell_length_b 14.36
_cell_length_c 6.87
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 919.448
_exptl_crystal_density_diffrn      1.679
_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   0.04170   0.25000   0.43900
S2   0.21480   0.25000   0.61600
O1  -0.04270   0.16490   0.48230
O2   0.09220   0.25000   0.23480
O3  -0.15460   0.08210   0.14620
O4   0.12690   0.11720  -0.03040
O5  -0.09800   0.02750  -0.26380