data_global _chemical_name_mineral 'Berndtite-2T' loop_ _publ_author_name 'Hazen R M' 'Finger L W' _journal_name_full 'American Mineralogist' _journal_volume 63 _journal_year 1978 _journal_page_first 289 _journal_page_last 292 _publ_section_title ; The crystal structures and compressibilities of layer minerals at high pressure. I. SnS2, berndtite P = 30 kbar ; _database_code_amcsd 0000627 _chemical_formula_sum 'Sn S2' _cell_length_a 3.605 _cell_length_b 3.605 _cell_length_c 5.460 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 61.452 _exptl_crystal_density_diffrn 4.941 _symmetry_space_group_name_H-M 'P -3 m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,-x+y,-z' '-x,-x+y,-z' '-x+y,-x,z' '-x+y,y,z' '-x,-y,-z' 'y,x,-z' '-y,x-y,z' 'x,x-y,z' 'x-y,x,-z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Sn 0.00000 0.00000 0.00000 0.02406 S 0.66667 0.33333 -0.27100 0.02660