data_global _amcsd_formula_title 'Ba3 O21 Sb4 Ti4' loop_ _publ_author_name 'Saurel C' 'Groult D' 'Raveau B' _journal_name_full 'Materials Research Bulletin' _journal_volume 12 _journal_year 1977 _journal_page_first 629 _journal_page_last 635 _publ_section_title ; Etude du comportement de l'antimoine V et du strontium dans les oxydes a structure en cages du type A3 M8 O21 _cod_database_code 1001277 ; _database_code_amcsd 0014257 _chemical_formula_sum 'Ba3 Ti4 Sb4 O21' _cell_length_a 8.966 _cell_length_b 8.966 _cell_length_c 11.857 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 825.473 _exptl_crystal_density_diffrn 5.739 _symmetry_space_group_name_H-M 'P 63/m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,z' 'x,x-y,-z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' '-y,-x,1/2+z' 'y,x,1/2-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,z' '-x+y,y,-z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,x-y,1/2+z' '-x,-x+y,1/2-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,z' '-y,-x,-z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x+y,y,1/2+z' 'x-y,-y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba1 0.60400 0.00000 0.25000 1.00000 Ti1 0.23200 0.00000 0.10000 0.66670 Sb1 0.23200 0.00000 0.10000 0.33330 Sb2 0.33333 0.66667 0.00000 1.00000 O1 0.23800 0.00000 0.25000 1.00000 O2 0.82500 0.00000 0.08600 1.00000 O3 0.18100 0.49200 0.11000 1.00000