data_global _amcsd_formula_title 'I2 Pb' loop_ _publ_author_name 'Terpstra P' 'Westenbrink H' _journal_name_full 'Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen' _journal_volume 29 _journal_year 1926 _journal_page_first 431 _journal_page_last 442 _publ_section_title ; On the crystal-structure of lead-iodide _cod_database_code 1010062 ; _database_code_amcsd 0016998 _chemical_formula_sum 'Pb I2' _cell_length_a 4.59 _cell_length_b 4.59 _cell_length_c 6.78 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 123.705 _exptl_crystal_density_diffrn 6.188 _symmetry_space_group_name_H-M 'P -3 m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,-x+y,-z' '-x,-x+y,-z' '-x+y,-x,z' '-x+y,y,z' '-x,-y,-z' 'y,x,-z' '-y,x-y,z' 'x,x-y,z' 'x-y,x,-z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pb1 0.00000 0.00000 0.00000 I1 0.33333 0.66667 0.20000