data_global _chemical_name_mineral 'Witzkeite' loop_ _publ_author_name 'Nestola F' 'Camara F' 'Chukanov N V' 'Atencio D' 'Coutinho J M V' 'Contreira R R' 'Farber G' _journal_name_full 'American Mineralogist' _journal_volume 97 _journal_year 2012 _journal_page_first 1783 _journal_page_last 1787 _publ_section_title ; Witzkeite: A new rare nitrate-sulphate mineral from a guano deposit at Punta de Lobos, Chile ; _database_code_amcsd 0019473 _chemical_compound_source 'Punta de Lobos, Chile' _chemical_formula_sum 'Na4 K4 Ca Fe.05 S4 N2 O24 H4' _cell_length_a 24.902 _cell_length_b 5.3323 _cell_length_c 17.246 _cell_angle_alpha 90 _cell_angle_beta 94.281 _cell_angle_gamma 90 _cell_volume 2283.620 _exptl_crystal_density_diffrn 2.430 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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_occupancy _atom_site_U_iso_or_equiv Na1 0.41977 0.24195 0.07588 1.00000 0.02140 Na2 0.50009 -0.26669 0.08618 1.00000 0.02410 K1 0.15202 0.25031 0.10623 1.00000 0.02470 K2 0.32417 0.24292 0.23240 1.00000 0.02750 Ca 0.50000 0.17350 0.25000 1.00000 0.01630 Fe 0.50000 0.33300 0.25000 0.05000 0.01520 S1 0.56605 -0.75113 0.07266 1.00000 0.01530 S2 0.41680 -0.27020 0.22437 1.00000 0.01570 N1 0.75732 0.24620 0.12315 1.00000 0.03230 O1 0.43161 0.47240 0.20028 1.00000 0.02580 O2 0.35931 -0.25870 0.23440 1.00000 0.02260 O3 0.43758 -0.01330 -0.02829 1.00000 0.02390 O4 0.43613 0.53770 -0.01849 1.00000 0.02270 O5 0.55222 -0.20440 0.20292 1.00000 0.02380 O6 0.38488 0.25670 0.37627 1.00000 0.02500 O7 0.51776 0.26720 0.11856 1.00000 0.02100 O8 0.43192 -0.08880 0.16526 1.00000 0.02590 O9 0.25780 0.04360 0.34995 1.00000 0.04130 O10 0.25789 0.44910 0.34928 1.00000 0.04170 O11 0.78891 0.24720 0.07049 1.00000 0.05040 Ow 0.32731 0.24590 0.05085 1.00000 0.03830 H1 0.31020 0.37700 0.05900 1.00000 0.03700 H2 0.30800 0.13400 0.06000 1.00000 0.07000