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