data_global _chemical_name_mineral 'Ingodite' loop_ _publ_author_name 'Bayliss P' _journal_name_full 'American Mineralogist' _journal_volume 76 _journal_year 1991 _journal_page_first 257 _journal_page_last 265 _publ_section_title ; Crystal chemistry and crystallography of some minerals in the tetradymite group ; _database_code_amcsd 0001347 _chemical_formula_sum 'Bi (S.56 Te.44)' _cell_length_a 4.2477 _cell_length_b 4.2477 _cell_length_c 23.075 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 360.562 _exptl_crystal_density_diffrn 7.822 _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_occupancy Bi 0.00000 0.00000 0.12400 1.00000 Bi 0.33333 0.66667 0.29100 1.00000 Bi 0.66667 0.33333 0.45900 1.00000 S 0.00000 0.00000 0.36200 0.56000 Te 0.00000 0.00000 0.36200 0.44000 S 0.33333 0.66667 0.05600 0.56000 Te 0.33333 0.66667 0.05600 0.44000 S 0.66667 0.33333 0.21100 0.56000 Te 0.66667 0.33333 0.21100 0.44000