data_global _chemical_name_mineral 'Pirquitasite' loop_ _publ_author_name 'Schumer B N' 'Downs R T' 'Domanik K J' 'Andrade M B' 'Origlieri M J' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 69 _journal_year 2013 _journal_page_first i8 _journal_page_last i9 _publ_section_title ; Pirquitasite, Ag2ZnSnS4 ; _database_code_amcsd 0019767 _chemical_compound_source 'Pirquitas, Jujuy Province, Argentina' _chemical_formula_sum 'Ag1.87 Cu.13 (Zn.61 Fe.36 Cd.03) Sn S4' _cell_length_a 5.7757 _cell_length_b 5.7757 _cell_length_c 10.8696 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 362.596 _exptl_crystal_density_diffrn 4.766 _symmetry_space_group_name_H-M 'I -4' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' '-y,x,-z' '1/2-y,1/2+x,1/2-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 Ag1 0.00000 0.00000 0.00000 1.00000 0.03640 Ag2 0.00000 0.50000 0.25000 0.87000 0.03010 Cu 0.00000 0.50000 0.25000 0.13000 0.03010 Zn 0.50000 0.00000 0.25000 0.61000 0.02200 Fe 0.50000 0.00000 0.25000 0.36000 0.02200 Cd 0.50000 0.00000 0.25000 0.03000 0.02200 Sn 0.50000 0.50000 0.00000 1.00000 0.01176 S 0.73250 0.25260 0.12847 1.00000 0.02140 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 Ag1 0.03600 0.03600 0.03720 0.00000 0.00000 0.00000 Ag2 0.02740 0.02740 0.03550 0.00000 0.00000 0.00000 Cu 0.02740 0.02740 0.03550 0.00000 0.00000 0.00000 Zn 0.02480 0.02480 0.01630 0.00000 0.00000 0.00000 Fe 0.02480 0.02480 0.01630 0.00000 0.00000 0.00000 Cd 0.02480 0.02480 0.01630 0.00000 0.00000 0.00000 Sn 0.01140 0.01140 0.01250 0.00000 0.00000 0.00000 S 0.02500 0.02120 0.01810 0.00530 -0.00230 0.00440