data_global _chemical_name_mineral 'Brownleeite' loop_ _publ_author_name 'Jorgensen J E' 'Rasmussen S E' _journal_name_full 'Powder Diffraction' _journal_volume 6 _journal_year 1991 _journal_page_first 194 _journal_page_last 195 _publ_section_title ; Refinement of the structure of MnSi by powder diffraction ; _database_code_amcsd 0015314 _chemical_formula_sum 'Mn Si' _cell_length_a 4.55613 _cell_length_b 4.55613 _cell_length_c 4.55613 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 94.578 _exptl_crystal_density_diffrn 5.831 _symmetry_space_group_name_H-M 'P 21 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-z,-x,1/2+y' '-z,1/2+x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2+y,1/2-z,-x' '1/2-y,-z,1/2+x' '-y,1/2+z,1/2-x' 'y,z,x' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Mn 0.13830 0.13830 0.13830 0.00920 Si 0.84610 0.84610 0.84610 0.01910