data_global _chemical_name_mineral 'Realgar' loop_ _publ_author_name 'Hejny C' 'Sagl R' 'Tobbens D M' 'Miletich R' 'Wildner M' 'Nasdala L' 'Ullrich A' 'Balic-Zunic T' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 39 _journal_year 2012 _journal_page_first 399 _journal_page_last 412 _publ_section_title ; Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0.89 GPa ; _database_code_amcsd 0019367 _chemical_compound_source 'Baia Sprie mine, Romania' _chemical_formula_sum 'As S' _cell_length_a 9.164 _cell_length_b 13.227 _cell_length_c 6.470 _cell_angle_alpha 90 _cell_angle_beta 106.56 _cell_angle_gamma 90 _cell_volume 751.714 _exptl_crystal_density_diffrn 3.781 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv As1 0.11770 -0.02360 0.76160 0.02520 As2 0.42750 0.13770 0.85530 0.02500 As3 0.32320 0.12730 0.18240 0.02500 As4 0.03650 0.16220 0.71000 0.02830 S1 0.34300 -0.00970 0.69360 0.03200 S2 0.21070 -0.02620 0.11910 0.02600 S3 0.23400 0.22860 0.62910 0.03100 S4 0.10750 0.21540 0.05210 0.03300