data_global _chemical_name_mineral 'Tugtupite' loop_ _publ_author_name 'Antao S M' 'Hassan I' 'Parise J B' _journal_name_full 'American Mineralogist' _journal_volume 89 _journal_year 2004 _journal_page_first 492 _journal_page_last 497 _publ_section_title ; Tugtupite: High-temperature structures obtained from in situ synchrotron diffraction and Rietveld refinements T = 20 C, data from Hassan and Grundy (1991) ; _database_code_amcsd 0003450 _chemical_formula_sum 'Al Be Si4 O12 Na4 Cl' _cell_length_a 8.640 _cell_length_b 8.640 _cell_length_c 8.873 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 662.366 _exptl_crystal_density_diffrn 2.345 _symmetry_space_group_name_H-M 'I -4' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Al 0.00000 0.50000 0.75000 0.00750 Be 0.00000 0.50000 0.25000 0.00980 Si 0.01270 0.25330 0.49580 0.00750 O1 0.15040 0.13430 0.44170 0.01210 O2 0.34720 0.03850 0.64880 0.01210 O3 0.42560 0.14860 0.13770 0.01210 Na 0.15630 0.19720 0.18180 0.01880 Cl 0.00000 0.00000 0.00000 0.02340