1data_OSI
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                  18.5060(0)
18_cell_length_b                  18.5060(0)
19_cell_length_c                   5.2680(0)
20_cell_angle_alpha               90.0000(0)
21_cell_angle_beta                90.0000(0)
22_cell_angle_gamma               90.0000(0)
23
24_symmetry_space_group_name_H-M     'I 4/m m m'
25_symmetry_Int_Tables_number         139
26_symmetry_cell_setting             tetragonal
27
28loop_
29_symmetry_equiv_pos_as_xyz
30'+x,+y,+z'
31'1/2+x,1/2+y,1/2+z'
32'-y,+x,+z'
33'1/2-y,1/2+x,1/2+z'
34'-x,-y,+z'
35'1/2-x,1/2-y,1/2+z'
36'+y,-x,+z'
37'1/2+y,1/2-x,1/2+z'
38'-x,+y,+z'
39'1/2-x,1/2+y,1/2+z'
40'+y,+x,+z'
41'1/2+y,1/2+x,1/2+z'
42'+x,-y,+z'
43'1/2+x,1/2-y,1/2+z'
44'-y,-x,+z'
45'1/2-y,1/2-x,1/2+z'
46'-x,-y,-z'
47'1/2-x,1/2-y,1/2-z'
48'+y,-x,-z'
49'1/2+y,1/2-x,1/2-z'
50'+x,+y,-z'
51'1/2+x,1/2+y,1/2-z'
52'-y,+x,-z'
53'1/2-y,1/2+x,1/2-z'
54'+x,-y,-z'
55'1/2+x,1/2-y,1/2-z'
56'-y,-x,-z'
57'1/2-y,1/2-x,1/2-z'
58'-x,+y,-z'
59'1/2-x,1/2+y,1/2-z'
60'+y,+x,-z'
61'1/2+y,1/2+x,1/2-z'
62
63loop_
64_atom_site_label
65_atom_site_type_symbol
66_atom_site_fract_x
67_atom_site_fract_y
68_atom_site_fract_z
69    O1    O     0.1923    0.1923    0.5000
70    O2    O     0.3148    0.1852    0.7500
71    O3    O     0.2698    0.0715    0.5000
72    O4    O     0.1706    0.0000    0.2500
73    O5    O     0.0711    0.0711    0.0000
74    T1    Si    0.2726    0.1585    0.5000
75    T2    Si    0.1209    0.0000    0.0000
76    T3    Si    0.2204    0.0000    0.5000
77
78