1data_SSY
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                   5.2580(0)
18_cell_length_b                  22.5790(0)
19_cell_length_c                  13.9770(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     'P m m n'
25_symmetry_Int_Tables_number         59
26_space_group.IT_coordinate_system_code  '2'
27_symmetry_cell_setting             orthorhombic
28
29loop_
30_symmetry_equiv_pos_as_xyz
31'+x,+y,+z'
32'1/2-x,+y,+z'
33'+x,1/2-y,+z'
34'1/2-x,1/2-y,+z'
35'-x,-y,-z'
36'1/2+x,-y,-z'
37'-x,1/2+y,-z'
38'1/2+x,1/2+y,-z'
39
40loop_
41_atom_site_label
42_atom_site_type_symbol
43_atom_site_fract_x
44_atom_site_fract_y
45_atom_site_fract_z
46    O1    O     0.7500    0.8081    0.2104
47    O2    O     0.0000    0.7500    0.0774
48    O3    O     0.2500    0.6917    0.9448
49    O4    O     0.7500    0.6085    0.3407
50    O5    O     0.0000    0.5925    0.1803
51    O6    O     0.7500    0.5664    0.5176
52    O7    O     0.9999    0.5117    0.3801
53    O8    O     0.7500    0.4161    0.9815
54    O9    O     0.5000    0.3938    0.1401
55   O10    O     0.2500    0.4270    0.2930
56   O11    O     0.2500    0.4948    0.1393
57    T1    Si    0.7500    0.7500    0.1437
58    T2    Si    0.2500    0.7500    0.0111
59    T3    Si    0.7500    0.6214    0.2273
60    T4    Si    0.7500    0.5496    0.4057
61    T5    Si    0.7500    0.3780    0.0787
62    T6    Si    0.2500    0.4707    0.3840
63    T7    Si    0.2500    0.4276    0.1778
64    T8    Si    0.2500    0.5658    0.1299
65
66