data_9009622 _chemical_name 'Scotlandite' loop_ _publ_author_name 'Pertlik F' 'Zemann J' _journal_name_full "Tschermaks Mineralogische und Petrographische Mitteilungen" _journal_volume 34 _journal_year 1985 _journal_page_first 289 _journal_page_last 295 _publ_section_title ; The crystal structure of scotlandite, PbSO3 Locality: Susanna mine, Leadhills, Lanarkshire, Scotland ; _chemical_formula_sum 'Pb S O3' _cell_length_a 4.505 _cell_length_b 5.333 _cell_length_c 6.405 _cell_angle_alpha 90 _cell_angle_beta 106.24 _cell_angle_gamma 90 _cell_volume 147.741 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _symmetry_equiv_pos_as_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 Pb 0.64580 0.25000 0.28060 S 0.08570 0.75000 0.17560 O1 0.74080 0.75000 0.14090 O2 0.19960 0.52700 0.32690