1data_YUG
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                  10.2480(0)
18_cell_length_b                  13.7880(0)
19_cell_length_c                   6.7820(0)
20_cell_angle_alpha               90.0000(0)
21_cell_angle_beta               111.5450(0)
22_cell_angle_gamma               90.0000(0)
23
24_symmetry_space_group_name_H-M     'C 2/m'
25_symmetry_Int_Tables_number         12
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,-z'
33'1/2-x,1/2+y,-z'
34'-x,-y,-z'
35'1/2-x,1/2-y,-z'
36'+x,-y,+z'
37'1/2+x,1/2-y,+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     0.2500    0.2500    0.5000
46    O2    O     0.3399    0.1685    0.2237
47    O3    O     0.2742    0.3535    0.1898
48    O4    O     0.5000    0.2935    0.5000
49    O5    O     0.3542    0.0000    0.0525
50    O6    O     0.5000    0.1481    0.0000
51    T1    Si    0.3411    0.2663    0.3538
52    T2    Si    0.3549    0.1156    0.0214
53
54