data_global _chemical_name_mineral 'Thoreaulite' loop_ _publ_author_name 'Mumme W G' _journal_name_full 'American Mineralogist' _journal_volume 55 _journal_year 1970 _journal_page_first 367 _journal_page_last 377 _publ_section_title ; The crystal structure of SnTa2O7, thoreaulite, an example of tin in five-fold coordination ; _database_code_amcsd 0000199 _chemical_formula_sum 'Sn Ta2 O7' _cell_length_a 17.140 _cell_length_b 4.865 _cell_length_c 5.548 _cell_angle_alpha 90 _cell_angle_beta 91.0 _cell_angle_gamma 90 _cell_volume 462.556 _exptl_crystal_density_diffrn 8.510 _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_U_iso_or_equiv Sn 0.00000 0.23000 0.25000 0.01520 Ta 0.16980 0.24030 0.66750 0.01140 O1 0.00000 0.39200 0.75000 0.04559 O2 0.07500 0.09700 0.59900 0.03293 O3 0.12400 0.56700 0.42700 0.04559 O4 0.21700 0.07700 0.34200 0.04433