1data_UTL
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                  28.9960(0)
18_cell_length_b                  13.9680(0)
19_cell_length_c                  12.4490(0)
20_cell_angle_alpha               90.0000(0)
21_cell_angle_beta               104.9100(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     0.4194    0.6797    0.7411
46    O2    O     0.5076    0.6290    0.8415
47    O3    O     0.4394    0.5000    0.7988
48    O4    O     0.4414    0.6310    0.9514
49    O5    O     0.4023    0.6809    0.1112
50    O6    O     0.4252    0.5000    0.0890
51    O7    O     0.2173    0.0000    0.8244
52    O8    O     0.2957    0.9060    0.8355
53    O9    O     0.2546    0.0000    0.6512
54   O10    O     0.1941    0.4048    0.7853
55   O11    O     0.2708    0.5000    0.7776
56   O12    O     0.2418    0.5000    0.9608
57   O13    O     0.2736    0.5000    0.5664
58   O14    O     0.3379    0.4062    0.7161
59   O15    O     0.1967    0.4055    0.4670
60   O16    O     0.3288    0.7254    0.1919
61   O17    O     0.2401    0.7693    0.1902
62   O18    O     0.3085    0.7830    0.3751
63   O19    O     0.3434    0.7376    0.5837
64   O20    O     0.2500    0.7500    0.5000
65   O21    O     0.3479    0.7670    0.7951
66   O22    O     0.3281    0.7753    0.9881
67   O23    O     0.3212    0.5943    0.0364
68    T1    Si    0.4521    0.6099    0.8330
69    T2    Si    0.4401    0.6099    0.0777
70    T3    Si    0.2954    0.7954    0.2422
71    T4    Si    0.3010    0.7941    0.4982
72    T5    Si    0.3072    0.7938    0.8569
73    T6    Si    0.3453    0.6950    0.0827
74    T7    Si    0.3624    0.6957    0.7076
75    T8    Si    0.2660    0.0000    0.7847
76    T9    Si    0.2247    0.5000    0.8270
77   T10    Si    0.3046    0.5000    0.6936
78   T11    Si    0.2278    0.5000    0.4612
79   T12    Si    0.2921    0.5000    0.0536
80
81