data_global _chemical_name_mineral 'Ixiolite' loop_ _publ_author_name 'Nickel E H' 'Rowland J F' 'McAdam R C' _journal_name_full 'American Mineralogist' _journal_volume 48 _journal_year 1963 _journal_page_first 961 _journal_page_last 979 _publ_section_title ; Ixiolite - a columbite substructure sample M-6591, note that the coordinates have been put into a standard setting ; _database_code_amcsd 125 _chemical_formula_sum '(Ta.438 Fe.177 Sn.128 Nb.124 Mn.12 Zr.006 Ti.006 W.001) O2' _cell_length_a 5.731 _cell_length_b 4.742 _cell_length_c 5.152 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 140.013 _exptl_crystal_density_diffrn 7.375 _symmetry_space_group_name_H-M 'P c a n' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,y,1/2+z' 'x,-y,1/2-z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '1/2+x,1/2+y,1/2-z' '1/2-x,1/2-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 Ta 0.333 0.0 -0.25 0.438 Fe 0.333 0.0 -0.25 0.177 Sn 0.333 0.0 -0.25 0.128 Nb 0.333 0.0 -0.25 0.124 Mn 0.333 0.0 -0.25 0.12 Zr 0.333 0.0 -0.25 0.006 Ti 0.333 0.0 -0.25 0.006 W 0.333 0.0 -0.25 0.001 O 0.092 0.25 -0.079 1.0