data_global _amcsd_formula_title 'PdSi' loop_ _publ_author_name 'Wyckoff R W G' _journal_name_full 'Crystal Structures' _journal_volume 1 _journal_year 1963 _journal_page_first 85 _journal_page_last 237 _publ_section_title ; Second edition. Interscience Publishers, New York, New York Note: manganese phosphide structure ; _database_code_amcsd 0011615 _chemical_formula_sum 'Pd Si' _cell_length_a 6.133 _cell_length_b 5.599 _cell_length_c 3.381 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 116.099 _exptl_crystal_density_diffrn 7.695 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pd 0.19000 0.00700 0.25000 Si 0.57000 0.19000 0.25000