data_global _amcsd_formula_title 'Al Cl4 Cs' loop_ _publ_author_name 'Mairesse G' 'Barbier P' 'Wignacourt J' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 35 _journal_year 1979 _journal_page_first 1573 _journal_page_last 1580 _publ_section_title ; Comparison of the crystal structures of alkaline (M = Li, Na, K, Rb, Cs) and Pseudo-alkaline (M = N O, N H4) Tetrachloroaluminates, MAlCl4 _cod_database_code 1004044 ; _database_code_amcsd 0009684 _chemical_formula_sum 'Al Cl4 Cs' _cell_length_a 11.641 _cell_length_b 7.116 _cell_length_c 9.373 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 776.435 _exptl_crystal_density_diffrn 2.581 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Al1 0.57016 0.25000 0.69293 Cl1 0.71186 0.25000 0.55165 Cl2 0.40999 0.25000 0.58962 Cl3 0.58735 0.00915 0.82699 Cs1 0.68056 0.25000 0.16536