data_global _amcsd_formula_title 'H12 Mg O9 S' loop_ _publ_author_name 'Flack H' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 29 _journal_year 1973 _journal_page_first 656 _journal_page_last 658 _publ_section_title ; Etude de la structure cristalline du sulfite de magnesium hexahydrate, Mg S O3 (H2 O)6 _cod_database_code 1100103 ; _database_code_amcsd 0018267 _chemical_formula_sum 'Mg S O9' _cell_length_a 8.830 _cell_length_b 8.830 _cell_length_c 9.075 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 612.772 _exptl_crystal_density_diffrn 1.629 _symmetry_space_group_name_H-M 'R 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+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 0.00000 0.00000 0.50010 O1 0.12710 0.17750 0.43030 O2 -0.19510 -0.19750 -0.12490 O3 0.18450 0.19310 0.13920