data_global _chemical_name_mineral 'Quadratite' loop_ _publ_author_name 'Bindi L' 'Spry P G' 'Bonazzi P' 'Makovicky E' 'Balic-Zunic T' _journal_name_full 'American Mineralogist' _journal_volume 98 _journal_year 2013 _journal_page_first 242 _journal_page_last 247 _publ_section_title ; Quadratite, AgCdAsS3:Chemical composition, crystal structure and OD character ; _database_code_amcsd 0019742 _chemical_compound_source 'Lengenbach, Binntal, Switzerland' _chemical_formula_sum 'Cd1.58 Ag1.994 Pb.426 As2 S6' _cell_length_a 5.5229 _cell_length_b 5.5229 _cell_length_c 33.399 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1018.750 _exptl_crystal_density_diffrn 5.367 _symmetry_space_group_name_H-M 'P 43 2 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,1/4-z' '-y,x,3/4+z' '-x,y,-z' '-x,-y,1/2+z' '-y,-x,3/4-z' 'y,-x,1/4+z' 'x,-y,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 CdM1 0.24290 0.24290 0.12500 0.58000 0.02370 AgM1 0.24290 0.24290 0.12500 0.42000 0.02370 CdM2 0.73820 0.73820 0.12500 1.00000 0.02350 AgM3 0.74800 0.23600 0.03370 0.78700 0.02400 PbM3* 0.74000 0.24200 0.04170 0.21300 0.02400 As 0.25590 0.74430 0.04947 1.00000 0.02080 S1 0.22200 0.73640 0.11861 1.00000 0.02010 S2 0.66460 0.72490 0.04740 1.00000 0.02540 S3 0.23340 0.16200 0.04691 1.00000 0.02080 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 CdM1 0.02460 0.02460 0.02200 0.00100 -0.00010 0.00010 AgM1 0.02460 0.02460 0.02200 0.00100 -0.00010 0.00010 CdM2 0.02270 0.02270 0.02490 -0.00100 -0.00030 0.00030 AgM3 0.02470 0.02860 0.01900 -0.00120 -0.00100 0.00300 PbM3' 0.02470 0.02860 0.01900 -0.00120 -0.00100 0.00300 As 0.02060 0.02120 0.02050 -0.00100 -0.00070 0.00010 S1 0.02400 0.01800 0.01900 0.00200 0.00300 0.00200 S2 0.02800 0.02200 0.02600 0.00200 0.00400 -0.00100 S3 0.01600 0.03300 0.01400 0.00200 0.00300 0.00100