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 = 494 ; _database_code_amcsd 0004646 _chemical_formula_sum '(Ca3.176 Na.824) (Si7.32 Al4.68) C.834 S.146 O27.084' _cell_length_a 12.2192 _cell_length_b 12.2192 _cell_length_c 7.5792 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1131.642 _exptl_crystal_density_diffrn 2.718 _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 0.28510 0.00000 0.79400 0.04800 NaM 0.35780 0.28510 0.00000 0.20600 0.04800 SiTl 0.16240 0.08930 0.00000 0.75000 0.02300 AlTl 0.16240 0.08930 0.00000 0.25000 0.02300 SiT2 0.15940 0.41460 0.20700 0.54000 0.01740 AlT2 0.15940 0.41460 0.20700 0.46000 0.01740 CA 0.50000 0.50000 0.00000 0.83400 0.02700 SA 0.50000 0.50000 0.00000 0.14600 0.02700 O1 0.04110 0.14740 0.00000 1.00000 0.02800 O2 0.18570 0.37880 0.00000 1.00000 0.03700 O3 0.45050 0.14970 0.21080 1.00000 0.04600 O4 0.26650 0.36990 0.67020 1.00000 0.03400 O5S 0.37030 0.57840 0.11030 0.07300 0.11800 O6C 0.59920 0.50920 0.00000 0.62500 0.11800