data_global
_amcsd_formula_title 'H4 Mg O9 S2'
loop_
_publ_author_name
'Worzala H'
'Schneider M'
'Kemnitz E'
'Trojanov S'
_journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_volume 596 
_journal_year 1991
_journal_page_first 167
_journal_page_last 171
_publ_section_title
;
 Ueber die Bildung und Kristallstruktur von Mg(HSO4)2 * H2O
 _cod_database_code 1100086
;
_database_code_amcsd 0018261
_chemical_formula_sum 'S2 Mg O9 H4'
_cell_length_a 8.623
_cell_length_b 5.014
_cell_length_c 15.428
_cell_angle_alpha 90
_cell_angle_beta 101.33
_cell_angle_gamma 90
_cell_volume 654.041
_exptl_crystal_density_diffrn      2.401
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S1   0.63200   0.25970   0.10110
S2   0.11290  -0.25480   0.11060
Mg1   0.74690  -0.24740  -0.01150
O1   0.73670   0.08750   0.06370
O2   0.63820   0.53450   0.07340
O3   0.47120   0.15710   0.09000
O4   0.68930   0.25100   0.20250
O5   0.95700  -0.34100   0.06890
O6   0.76410   0.43210  -0.09330
O7   0.85510  -0.02270  -0.09510
O8   0.37970   0.24100   0.28800
O9   0.99680  -0.27910  -0.25840
H1   0.73000  -0.22000   0.27500
H2   0.41500   0.09000   0.27200
H3   0.47000  -0.20000   0.18700
H4   0.44000  -0.32000   0.26900