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 = 101 ; _database_code_amcsd 0004642 _chemical_formula_sum '(Ca3.176 Na.824) (Si7.32 Al4.68) C.834 S.146 O27.084' _cell_length_a 12.1736 _cell_length_b 12.1736 _cell_length_c 7.5757 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1122.693 _exptl_crystal_density_diffrn 2.740 _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 0.35790 0.28440 0.00000 0.79400 0.03300 NaM 0.35790 0.28440 0.00000 0.20600 0.03300 SiTl 0.16210 0.09110 0.00000 0.75000 0.01700 AlTl 0.16210 0.09110 0.00000 0.25000 0.01700 SiT2 0.15930 0.41340 0.20710 0.54000 0.01320 AlT2 0.15930 0.41340 0.20710 0.46000 0.01320 CA 0.50000 0.50000 0.00000 0.83400 0.01600 SA 0.50000 0.50000 0.00000 0.14600 0.01600 O1 0.04060 0.14880 0.00000 1.00000 0.01600 O2 0.18560 0.37550 0.00000 1.00000 0.02400 O3 0.45080 0.15040 0.20830 1.00000 0.03100 O4 0.26610 0.36740 0.67130 1.00000 0.02700 O5S 0.37910 0.57380 0.10650 0.07300 0.09500 O6C 0.60030 0.51130 0.00000 0.62500 0.09500