data_global _chemical_name_mineral 'Covellite' loop_ _publ_author_name 'Ohmasa M' 'Suzuki M' 'Takeuchi Y' _journal_name_full 'Mineralogical Journal' _journal_volume 8 _journal_year 1977 _journal_page_first 311 _journal_page_last 319 _publ_section_title ; A refinement of the crystal structure of covellite, CuS ; _database_code_amcsd 0014418 _chemical_compound_source 'Kosaka mine, Akita Prefecture, Japan' _chemical_formula_sum 'Cu S' _cell_length_a 3.796 _cell_length_b 3.796 _cell_length_c 16.382 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 204.433 _exptl_crystal_density_diffrn 4.660 _symmetry_space_group_name_H-M 'P 63/m m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' '-y,-x,z' 'y,x,-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,x-y,z' '-x,-x+y,-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x+y,y,z' 'x-y,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cu1 0.33333 0.66667 0.75000 Cu2 0.33333 0.66667 0.10724 S1 0.33333 0.66667 0.25000 S2 0.00000 0.00000 0.06370 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 Cu1 0.03220 0.03220 0.04120 0.01610 0.00000 0.00000 Cu2 0.01660 0.01660 0.01390 0.00830 0.00000 0.00000 S1 0.02590 0.02590 0.01170 0.01295 0.00000 0.00000 S2 0.01150 0.01150 0.00960 0.00575 0.00000 0.00000