data_global _amcsd_formula_title 'LaNbTiO6' loop_ _publ_author_name 'Golobic A' 'Skapin S D' 'Suvorov D' 'Meden A' _journal_name_full 'Croatia Chemica Acta' _journal_volume 77 _journal_year 2004 _journal_page_first 435 _journal_page_last 446 _publ_section_title ; Solving structural problems of ceramic materials Compound 1 ; _database_code_amcsd 0018959 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'La (Nb Ti) O6' _cell_length_a 11.2041 _cell_length_b 8.85114 _cell_length_c 5.27180 _cell_angle_alpha 90 _cell_angle_beta 115.3282 _cell_angle_gamma 90 _cell_volume 472.544 _exptl_crystal_density_diffrn 5.281 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv La 0.50000 0.69440 0.25000 1.00000 0.00902 Nb 0.26743 0.91857 -0.44870 0.50000 0.00849 Ti 0.26743 0.91857 -0.44870 0.50000 0.00849 O1 0.36150 0.91770 -0.03250 1.00000 0.00228 O2 0.64230 0.75430 0.03160 1.00000 0.00228 O3 0.64000 0.53540 0.65250 1.00000 0.00228