data_global _chemical_name_mineral 'Kainite' loop_ _publ_author_name 'Robinson P D' 'Fang J H' 'Ohya Y' _journal_name_full 'American Mineralogist' _journal_volume 57 _journal_year 1972 _journal_page_first 1325 _journal_page_last 1332 _publ_section_title ; The crystal structure of kainite ; _database_code_amcsd 0000291 _chemical_compound_source 'Stassfurt, Germany' _chemical_formula_sum 'K4 S4 Mg4 Cl4 O27 H22' _cell_length_a 19.72 _cell_length_b 16.23 _cell_length_c 9.53 _cell_angle_alpha 90 _cell_angle_beta 94.92 _cell_angle_gamma 90 _cell_volume 3038.891 _exptl_crystal_density_diffrn 2.137 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv K1 0.19158 0.50000 0.42030 0.02280 K2 0.19318 0.00000 0.93980 0.01976 K3 0.19487 0.30640 0.84830 0.02533 S1 0.09695 0.33080 0.51750 0.00874 S2 0.09805 0.16720 0.01360 0.00950 Mg1 0.00000 0.50000 0.50000 0.01102 Mg2 0.00000 0.00000 0.00000 0.01267 Mg3 0.25000 0.25000 0.50000 0.01444 Mg4 0.00026 0.24840 0.24810 0.01267 Cl1 0.21470 0.00000 0.27300 0.03103 Cl2 0.13985 0.00000 0.62310 0.02875 Cl3 0.17890 0.38920 0.13570 0.02976 O1 0.07100 0.23170 0.91520 0.01646 O2 0.07070 0.26940 0.41420 0.01735 O3 0.07490 0.31070 0.65690 0.01634 O4 0.07340 0.41330 0.47440 0.01925 O5 0.07150 0.08590 0.96460 0.01976 O6 0.07600 0.18440 0.15520 0.01444 O7 0.17210 0.33160 0.52610 0.01583 O8 0.17220 0.16680 0.01830 0.01697 Wat1 0.03990 0.00000 0.21970 0.02090 Wat2 0.01930 0.50000 0.71920 0.01798 Wat3 0.21330 0.17270 0.65100 0.02774 Wat4 0.02590 0.35880 0.14680 0.01874 Wat5 0.02000 0.13540 0.64890 0.02204 Wat6 0.19630 0.18490 0.34380 0.02280 Wat7 0.14540 0.50000 0.84300 0.05687