data_global _chemical_name_mineral 'Selenium' loop_ _publ_author_name 'Miyamoto Y' _journal_name_full 'Japanese Journal of Applied Physics' _journal_volume 19 _journal_year 1980 _journal_page_first 1813 _journal_page_last 1819 _publ_section_title ; Structure and phase transformation of rhombohedral selenium composed of Se6 molecules ; _database_code_amcsd 0012739 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Se' _cell_length_a 11.362 _cell_length_b 11.362 _cell_length_c 4.429 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 495.160 _exptl_crystal_density_diffrn 4.766 _symmetry_space_group_name_H-M 'R -3' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Se 0.16021 0.20227 0.12045 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Se 0.02266 0.01982 0.02778 0.01040 -0.00289 -0.00322