data_global _amcsd_formula_title 'Nb6 O18 Ti Tl2' loop_ _publ_author_name 'Desgardin G' 'Robert C' 'Raveau B' _journal_name_full 'Materials Research Bulletin' _journal_volume 13 _journal_year 1978 _journal_page_first 621 _journal_page_last 626 _publ_section_title ; Etude de comportement du thallium dans de nouvelles structures a tunnels entrecroises: Tl2 Nb6 Ti O18 et Tl2 Ta6 Ti O18 _cod_database_code 1001850 ; _database_code_amcsd 0014263 _chemical_formula_sum 'Tl2 Nb6 Ti O18' _cell_length_a 7.537 _cell_length_b 7.537 _cell_length_c 8.224 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 404.586 _exptl_crystal_density_diffrn 5.344 _symmetry_space_group_name_H-M 'P -3 m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,-x+y,-z' '-x,-x+y,-z' '-x+y,-x,z' '-x+y,y,z' '-x,-y,-z' 'y,x,-z' '-y,x-y,z' 'x,x-y,z' 'x-y,x,-z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tl1 0.35800 -0.35800 0.70500 0.33330 Nb1 0.16667 -0.16667 0.15040 1.00000 Ti1 0.00000 0.00000 0.50000 1.00000 O1 0.45500 -0.45500 0.16900 1.00000 O2 0.85400 -0.85400 0.10000 1.00000 O3 0.14100 -0.14100 0.36000 1.00000