data_global _chemical_name_mineral 'Chvilevaite' loop_ _publ_author_name 'Kaplunnik L N' 'Petrova I V' 'Pobedimskaya E A' 'Kachalovskaya V M' 'Osipov B S' _journal_name_full 'Soviet Physics Doklady' _journal_volume 35 _journal_year 1990 _journal_page_first 6 _journal_page_last 8 _publ_section_title ; Crystal structure of natural alkaline sulfide, chvilevaite, Na(Cu,Fe,Zn)2S2 ; _database_code_amcsd 0015619 _chemical_compound_source 'Lake Baikal region, Russia' _chemical_formula_sum 'Na (Cu1.34 Fe.44 Zn.22) S2' _cell_length_a 3.873 _cell_length_b 3.873 _cell_length_c 6.848 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 88.959 _exptl_crystal_density_diffrn 3.943 _symmetry_space_group_name_H-M 'P 3 m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' '-y,x-y,z' 'x,x-y,z' '-x+y,-x,z' '-x+y,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 Na 0.33333 0.66667 0.73800 1.00000 0.00887 CuM1 0.66667 0.33333 0.10940 0.67000 0.01684 FeM1 0.66667 0.33333 0.10940 0.22000 0.01684 ZnM1 0.66667 0.33333 0.10940 0.11000 0.01684 CuM2 0.00000 0.00000 0.35570 0.67000 0.01051 FeM2 0.00000 0.00000 0.35570 0.22000 0.01051 ZnM2 0.00000 0.00000 0.35570 0.11000 0.01051 S1 0.00000 0.00000 0.00000 1.00000 0.00633 S2 0.66667 0.33333 0.46290 1.00000 0.01418 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 Na 0.00887 0.00887 0.00405 0.00443 0.00000 0.00000 CuM1 0.01684 0.01684 0.02077 0.00842 0.00000 0.00000 FeM1 0.01684 0.01684 0.02077 0.00842 0.00000 0.00000 ZnM1 0.01684 0.01684 0.02077 0.00842 0.00000 0.00000 CuM2 0.01051 0.01051 0.01254 0.00526 0.00000 0.00000 FeM2 0.01051 0.01051 0.01254 0.00526 0.00000 0.00000 ZnM2 0.01051 0.01051 0.01254 0.00526 0.00000 0.00000 S1 0.00633 0.00633 0.00659 0.00317 0.00000 0.00000 S2 0.01507 0.01507 0.01672 0.00754 0.00000 0.00000