data_global _amcsd_formula_title 'Cs3 Nb5.96 O16.4' loop_ _publ_author_name 'Saine M' 'Gasperin M' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 39 _journal_year 1983 _journal_page_first 1153 _journal_page_last 1156 _publ_section_title ; Synthese et Structure d'un Niobate de Cesium non Stoechiometrique, Cs3 Nb5.96 O16.4 _cod_database_code 1001255 ; _database_code_amcsd 0009983 _chemical_formula_sum 'Nb11.92 Cs6 O32.8' _cell_length_a 18.315 _cell_length_b 24.506 _cell_length_c 7.296 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3274.645 _exptl_crystal_density_diffrn 4.928 _symmetry_space_group_name_H-M 'A m a m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,-y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,y,-z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' 'x,1/2+y,1/2-z' '-x,-y,z' '-x,1/2-y,1/2+z' '1/2-x,y,z' '1/2-x,1/2+y,1/2+z' '1/2+x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb1 0.08099 0.11397 0.24915 1.00000 Nb2 0.25000 0.57715 0.00000 1.00000 Nb3 0.00000 0.00000 0.00000 1.00000 Nb4 0.08869 0.86907 0.00000 1.00000 Nb5 0.16522 0.72453 0.00000 1.00000 Nb6 0.25000 0.33381 0.20729 0.51000 Nb7 0.23709 0.33539 0.24895 0.17500 Nb8 0.25000 0.34215 0.28934 0.10000 Cs1 0.25000 0.17463 0.02820 0.50000 Cs2 0.09713 0.45458 0.00000 1.00000 Cs3 0.04993 0.27127 0.00000 1.00000 Cs4 0.25000 -0.00615 0.00000 1.00000 O1 0.10920 0.13270 0.00000 1.00000 O2 0.04780 0.61190 0.00000 1.00000 O3 0.04790 0.04320 0.19010 1.00000 O4 -0.02120 0.14240 0.18820 1.00000 O5 0.17580 0.58960 0.19280 1.00000 O6 0.11540 0.69430 0.19410 1.00000 O7 0.08100 0.94660 0.00000 1.00000 O8 0.25000 0.67260 0.00000 1.00000 O9 0.25000 0.50740 0.00000 1.00000 O10 0.11660 0.79000 0.00000 1.00000 O11 0.32640 0.37440 0.30130 1.00000 O12 0.25000 0.26310 0.31580 1.00000 O13 0.21370 0.32430 0.00000 0.40000