data_global _chemical_name_mineral 'Humberstonite' loop_ _publ_author_name 'Burns P C' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 32 _journal_year 1994 _journal_page_first 381 _journal_page_last 385 _publ_section_title ; The crystal structure of humberstonite, a mixed sulfate-nitrate mineral ; _database_code_amcsd 0005366 _chemical_formula_sum 'N2 S6 K3 Mg Na8 O36' _cell_length_a 10.9055 _cell_length_b 10.9055 _cell_length_c 24.3949 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2512.585 _exptl_crystal_density_diffrn 2.224 _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' '-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 _atom_site_U_iso_or_equiv N 0.33333 0.66667 0.09260 0.02660 S 0.34370 0.17100 0.27470 0.01267 K 0.50000 0.00000 0.00000 0.01140 Mg 0.00000 0.00000 0.00000 0.00380 Na1 0.00000 0.00000 0.12500 0.02026 Na2 0.64590 0.82100 0.09170 0.01140 O1 0.50100 0.25700 0.27540 0.01140 O2 0.28500 0.12800 0.32740 0.01140 O3 0.28700 0.24800 0.24600 0.01140 O4 0.30800 0.03300 0.24200 0.01140 O5 0.09300 0.89500 0.16930 0.01140 O6 0.41700 0.79700 0.09580 0.01140