data_global _amcsd_formula_title 'H12 Mg O9 S' loop_ _publ_author_name 'Bats J' 'Fuess H' 'Elerman Y' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 42 _journal_year 1986 _journal_page_first 552 _journal_page_last 557 _publ_section_title ; Deformation density in magnesium sulfite hexahydrate. _cod_database_code 1100083 ; _database_code_amcsd 0018258 _chemical_formula_sum 'Mg S O9' _cell_length_a 5.911 _cell_length_b 5.911 _cell_length_c 5.911 _cell_angle_alpha 96.25 _cell_angle_beta 96.25 _cell_angle_gamma 96.25 _cell_volume 202.553 _exptl_crystal_density_diffrn 1.643 _symmetry_space_group_name_H-M 'R 3' loop_ _space_group_symop_operation_xyz 'x,y,z' 'z,x,y' 'y,z,x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mg1 0.00000 0.00000 0.00000 S1 -0.50312 -0.50312 -0.50312 O1 -0.25463 -0.48277 -0.55934 O2 -0.14468 -0.32982 0.04906 O3 0.12283 0.31762 -0.07655