1data_PAR
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                  21.5550(0)
18_cell_length_b                   8.7610(0)
19_cell_length_c                   9.3040(0)
20_cell_angle_alpha               90.0000(0)
21_cell_angle_beta                91.5500(0)
22_cell_angle_gamma               90.0000(0)
23
24_symmetry_space_group_name_H-M     'C 2/c'
25_symmetry_Int_Tables_number         15
26_symmetry_cell_setting             monoclinic
27
28loop_
29_symmetry_equiv_pos_as_xyz
30'+x,+y,+z'
31'1/2+x,1/2+y,+z'
32'-x,+y,1/2-z'
33'1/2-x,1/2+y,1/2-z'
34'-x,-y,-z'
35'1/2-x,1/2-y,-z'
36'+x,-y,1/2+z'
37'1/2+x,1/2-y,1/2+z'
38
39loop_
40_atom_site_label
41_atom_site_type_symbol
42_atom_site_fract_x
43_atom_site_fract_y
44_atom_site_fract_z
45    O1    O     0.0695    0.0181    0.2162
46    O2    O     0.0725    0.1719    0.4626
47    O3    O     0.1222    0.2883    0.2295
48    O4    O     0.1722    0.0363    0.0250
49    O5    O     0.2081    0.4669    0.4096
50    O6    O     0.2345    0.1550    0.3605
51    O7    O     0.2340    0.3599    0.1221
52    O8    O     0.0000    0.2632    0.2500
53    OH    O     0.3523    0.2673    0.2918
54    T1    Si    0.0673    0.1832    0.2896
55    T2    Si    0.2398    0.0077    0.4621
56    T3    Si    0.1999    0.3162    0.2858
57    T4    Si    0.1161    0.0844    0.6006
58
59