data_global _chemical_name_mineral 'Arzakite' loop_ _publ_author_name 'Minets Y V' 'Voroshilov Y V' 'Pan'ko V V' _journal_name_full 'Journal of Alloys and Compounds' _journal_volume 367 _journal_year 2004 _journal_page_first 109 _journal_page_last 114 _publ_section_title ; The structures of mercury chalcogenhalogenides Hg3X2Hal2 Note: synthetic, superstructure ; _database_code_amcsd 0012832 _chemical_formula_sum 'Hg6 S4 Br3 I' _cell_length_a 13.32 _cell_length_b 13.32 _cell_length_c 4.465 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 792.191 _exptl_crystal_density_diffrn 7.120 _symmetry_space_group_name_H-M 'P 4 21 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,-z' '1/2-y,1/2+x,z' '1/2-x,1/2+y,-z' '-x,-y,z' '-y,-x,-z' '1/2+y,1/2-x,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 Hg1 0.35040 0.11410 0.49700 1.00000 0.03090 Hg2 0.80260 0.02500 -0.00100 0.50000 0.02052 S 0.46750 0.25040 0.50900 1.00000 0.01013 Br1 0.22390 0.22390 0.00000 1.00000 0.01013 Br2 0.50000 0.00000 -0.00400 1.00000 0.01013 I 0.00000 0.00000 0.00000 1.00000 0.01672