data_global _amcsd_formula_title 'As0.5 Cd1.5 I1.5' loop_ _publ_author_name 'Rebbah A' 'Yazbeck J' 'Deschanvres A' _journal_name_full 'Revue de Chimie Minerale' _journal_volume 19 _journal_year 1981 _journal_page_first 43 _journal_page_last 53 _publ_section_title ; Etude structurale des composes Cd3 Y X3 (Y=As, P$, X=Cl, Br, I) _cod_database_code 1001318 ; _database_code_amcsd 0015393 _chemical_formula_sum 'Cd.75 (I.75 As.25)' _cell_length_a 4.466 _cell_length_b 4.466 _cell_length_c 7.302 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 126.128 _exptl_crystal_density_diffrn 5.219 _symmetry_space_group_name_H-M 'P 63 m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x-y,x,1/2+z' '-y,-x,z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x,-y,1/2+z' 'x,x-y,z' '-x+y,-x,z' 'y,x,1/2+z' 'y,-x+y,1/2+z' '-x+y,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cd1 -0.66667 -0.33333 0.00000 0.75000 I1 -0.66667 -0.33333 0.37300 0.75000 As1 -0.66667 -0.33333 0.37300 0.25000