data_global _chemical_name_mineral 'Cetineite' loop_ _publ_author_name 'Sabelli C' 'Nakai I' 'Katsura S' _journal_name_full 'American Mineralogist' _journal_volume 73 _journal_year 1988 _journal_page_first 398 _journal_page_last 404 _publ_section_title ; Crystal structures of cetineite and its synthetic Na analogue Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O) ; _chemical_formula_sum 'Sb7 K2.4 S3 Na.58 O11.82 H2.82' _cell_length_a 14.2513 _cell_length_b 14.2513 _cell_length_c 5.5900 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 983.222 _exptl_crystal_density_diffrn 4.214 _symmetry_space_group_name_H-M 'P 63' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x-y,x,1/2+z' '-y,x-y,z' '-x,-y,1/2+z' '-x+y,-x,z' 'y,-x+y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sb1A 0.33333 0.66667 0.87360 0.50000 Sb1B 0.33333 0.66667 0.62620 0.50000 Sb2 0.16515 0.44827 0.25070 1.00000 Sb3 0.38670 0.40287 0.25180 1.00000 K 0.18140 0.28140 0.74710 0.80000 S 0.36200 0.52930 0.71870 1.00000 Na 0.00000 0.00000 0.49040 0.58000 O1 0.22750 0.35130 0.23340 1.00000 O2 0.06460 0.35410 0.50200 1.00000 O3 0.05950 0.35890 -0.00020 1.00000 O-H 0.09200 0.14010 0.22300 0.94000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Sb1A 0.02693 0.02693 0.00779 0.01343 0.00000 0.00000 Sb1B 0.01667 0.01667 0.03171 0.00833 0.00000 0.00000 Sb2 0.01968 0.02161 0.02359 0.01173 0.00325 0.00094 Sb3 0.01875 0.01698 0.01651 0.01026 0.00133 0.00580 K 0.03743 0.06806 0.02853 0.03766 0.00189 -0.01056 S 0.02693 0.01983 0.12253 0.01404 0.01216 -0.00608 Na 0.01397 0.01397 0.02389 0.00695 0.00000 0.00000 O1 0.01752 0.02261 0.02612 0.01343 0.01007 0.00388 O2 0.02153 0.02624 0.00497 0.00949 0.01000 0.00563 O3 0.03789 0.02608 0.04942 0.01775 -0.00447 0.00682 OH 0.10966 0.05703 0.05563 -0.01065 0.04355 0.03062