data_global _chemical_name_mineral 'Troilite' loop_ _publ_author_name 'King H E' 'Prewitt C T' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 38 _journal_year 1982 _journal_page_first 1877 _journal_page_last 1887 _publ_section_title ; High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 3.33 GPa ; _database_code_amcsd 0009771 _chemical_formula_sum 'Fe S' _cell_length_a 5.861 _cell_length_b 5.861 _cell_length_c 11.577 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 344.405 _exptl_crystal_density_diffrn 5.086 _symmetry_space_group_name_H-M 'P -6 2 c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' '-x+y,-x,1/2-z' 'y,x,-z' '-y,x-y,z' 'x-y,-y,1/2+z' 'x,y,1/2-z' '-x,-x+y,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,x-y,1/2-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 Fe 0.37790 0.05560 0.12280 0.01381 S1 0.00000 0.00000 0.00000 0.01013 S2 0.33333 0.66667 0.02270 0.01077 S3 0.66500 -0.00560 0.25000 0.00861