data_global _chemical_name_mineral 'Nagyagite' loop_ _publ_author_name 'Effenberger H' 'Paar W H' 'Topa D' 'Culetto F J' 'Giester G' _journal_name_full 'American Mineralogist' _journal_volume 84 _journal_year 1999 _journal_page_first 669 _journal_page_last 676 _publ_section_title ; Toward the crystal structure of nagyagite, [Pb(Pb,Sb)S2][(Au,Te)] ; _database_code_amcsd 0002222 _chemical_formula_sum 'Pb1.476 Sb.524 (Te.867 Au.133) S2' _cell_length_a 4.220 _cell_length_b 4.176 _cell_length_c 15.119 _cell_angle_alpha 90 _cell_angle_beta 95.42 _cell_angle_gamma 90 _cell_volume 265.247 _exptl_crystal_density_diffrn 7.144 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb1 0.16212 0.25000 0.80260 1.00000 Sb2 0.35780 0.25000 0.40183 0.52400 Pb2 0.35780 0.25000 0.40183 0.47600 Te 0.73640 0.25000 -0.00056 0.86700 Au 0.73640 0.25000 -0.00056 0.13300 S1 0.34840 0.25000 0.23230 1.00000 S2 0.07440 0.25000 0.61110 1.00000 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 Pb1 0.03510 0.03250 0.03710 0.00000 0.00260 0.00000 Sb2 0.04430 0.02740 0.03260 0.00000 0.00870 0.00000 Pb2 0.04430 0.02740 0.03260 0.00000 0.00870 0.00000 Te 0.05180 0.03570 0.02860 0.00000 0.00500 0.00000 Au 0.05180 0.03570 0.02860 0.00000 0.00500 0.00000 S1 0.02500 0.02100 0.03700 0.00000 0.00800 0.00000 S2 0.03500 0.06000 0.02600 0.00000 0.00770 0.00000