data_global _chemical_name_mineral 'Molybdenite' loop_ _publ_author_name 'Schonfeld B' 'Huang J J' 'Moss S C' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 39 _journal_year 1983 _journal_page_first 404 _journal_page_last 407 _publ_section_title ; Anisotropic mean-square displacements (MSD) in single crystals of 2H- and 3R-MoS2 Note: 2H polytype, this is the most common in nature ; _database_code_amcsd 0009788 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Mo S2' _cell_length_a 3.161 _cell_length_b 3.161 _cell_length_c 12.295 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 106.392 _exptl_crystal_density_diffrn 4.997 _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 Mo 0.33333 0.66667 0.25000 S 0.33333 0.66667 0.62750