data_global _chemical_name_mineral 'Meionite' loop_ _publ_author_name 'Antao S M' 'Hassan I' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 1470 _journal_page_last 1477 _publ_section_title ; Unusual Al-Si ordering in calcic scapolite, Me79.6, with increasing temperature T = 396 ; _database_code_amcsd 0004645 _chemical_formula_sum '(Ca3.176 Na.824) (Si7.32 Al4.68) C.834 S.146 O27.084' _cell_length_a 12.2067 _cell_length_b 12.2067 _cell_length_c 7.5780 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1129.149 _exptl_crystal_density_diffrn 2.724 _symmetry_space_group_name_H-M 'I 4/m' 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' '-y,x,z' '1/2-y,1/2+x,1/2+z' 'x,y,-z' '1/2+x,1/2+y,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' 'y,-x,z' '1/2+y,1/2-x,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-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 CaM 0.35780 0.28490 0.00000 0.79400 0.04300 NaM 0.35780 0.28490 0.00000 0.20600 0.04300 SiTl 0.16230 0.08970 0.00000 0.75000 0.02100 AlTl 0.16230 0.08970 0.00000 0.25000 0.02100 SiT2 0.15930 0.41420 0.20710 0.54000 0.01620 AlT2 0.15930 0.41420 0.20710 0.46000 0.01620 CA 0.50000 0.50000 0.00000 0.83400 0.02400 SA 0.50000 0.50000 0.00000 0.14600 0.02400 O1 0.04080 0.14790 0.00000 1.00000 0.02400 O2 0.18570 0.37799 0.00000 1.00000 0.03200 O3 0.45053 0.14988 0.21020 1.00000 0.04100 O4 0.26645 0.36926 0.67030 1.00000 0.03200 O5S 0.37050 0.58090 0.10780 0.07300 0.10900 O6C 0.59910 0.51000 0.00000 0.62500 0.10900