data_global _chemical_name_mineral 'Milarite' loop_ _publ_author_name 'Hawthorne F C' 'Kimata M' 'Cerny P' 'Ball N A' 'Rossman G R' 'Grice J D' _journal_name_full 'American Mineralogist' _journal_volume 76 _journal_year 1991 _journal_page_first 1836 _journal_page_last 1856 _publ_section_title ; The crystal chemistry of the milarite-group minerals sample #37 from Strange Lake ; _database_code_amcsd 0001420 _chemical_formula_sum 'Ca1.38 Y.62 Na.02 K Si12 (Al.36 Be2.64) O30' _cell_length_a 10.340 _cell_length_b 10.340 _cell_length_c 13.758 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1273.876 _exptl_crystal_density_diffrn 2.608 _symmetry_space_group_name_H-M 'P 6/m c c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,-z' 'x-y,x,z' '-y,-x,1/2+z' 'y,x,1/2-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,-z' '-x,-y,z' 'x,x-y,1/2+z' '-x,-x+y,1/2-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,-z' 'y,-x+y,z' '-x+y,y,1/2+z' 'x-y,-y,1/2-z' '-x,-y,-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 CaA 0.33333 0.66667 0.23140 0.34500 0.00840 YA 0.33333 0.66667 0.23140 0.15500 0.00840 NaB 0.33333 0.66667 0.05000 0.00500 ? KC 0.00000 0.00000 0.25000 1.00000 ? Si1 0.08085 0.33800 0.11262 1.00000 ? Al2 0.00000 0.50000 0.25000 0.12000 ? Be2 0.00000 0.50000 0.25000 0.88000 ? O1 0.09410 0.38720 0.00000 1.00000 ? O2 0.19590 0.27760 0.13270 1.00000 ? O3 0.11550 0.47470 0.18220 1.00000 ? loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 NaB 0.02380 0.02380 0.03270 0.01190 0.00000 0.00000 KC 0.01720 0.01720 0.01970 0.00860 0.00000 0.00000 Si1 0.00690 0.00950 0.00510 0.00410 -0.00020 -0.00110 Al2 0.00580 0.00480 0.00320 0.00290 0.00000 0.00000 Be2 0.00580 0.00480 0.00320 0.00290 0.00000 0.00000 O1 0.03150 0.02030 0.00420 0.01290 0.00000 0.00000 O2 0.01560 0.02340 0.01750 0.01570 -0.00370 -0.00440 O3 0.01080 0.01120 0.00880 0.00690 -0.00020 -0.00270