1data_OFF 2#************************************************************************** 3# 4# CIF taken from the IZA-SC Database of Zeolite Structures 5# Ch. Baerlocher and L.B. McCusker 6# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 7# 8# All data on this site have been placed in the public domain. 9# If you use this work in a scientific publication, you are obligated to 10# cite its origin. 11# 12# The atom coordinates and the cell parameters were optimized with DLS76 13# assuming a pure SiO2 composition. 14# 15#************************************************************************** 16 17_cell_length_a 13.0630(0) 18_cell_length_b 13.0630(0) 19_cell_length_c 7.5650(0) 20_cell_angle_alpha 90.0000(0) 21_cell_angle_beta 90.0000(0) 22_cell_angle_gamma 120.0000(0) 23 24_symmetry_space_group_name_H-M 'P -6 m 2' 25_symmetry_Int_Tables_number 187 26_symmetry_cell_setting hexagonal 27 28loop_ 29_symmetry_equiv_pos_as_xyz 30'+x,+y,+z' 31'-y,+x-y,+z' 32'-x+y,-x,+z' 33'+x,+y,-z' 34'-y,+x-y,-z' 35'-x+y,-x,-z' 36'-y,-x,+z' 37'-x+y,+y,+z' 38'+x,+x-y,+z' 39'-y,-x,-z' 40'-x+y,+y,-z' 41'+x,+x-y,-z' 42 43loop_ 44_atom_site_label 45_atom_site_type_symbol 46_atom_site_fract_x 47_atom_site_fract_y 48_atom_site_fract_z 49 O1 O 0.0961 0.1921 0.2244 50 O2 O 0.8718 0.1282 0.2618 51 O3 O 0.0365 0.3477 0.3263 52 O4 O 0.9950 0.2679 0.0000 53 O5 O 0.2359 0.4718 0.5000 54 O6 O 0.0756 0.5378 0.5000 55 T1 Si 0.9998 0.2340 0.2032 56 T2 Si 0.0964 0.4264 0.5000 57 58