data_UTL
#**************************************************************************
#
# CIF taken from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
# The atom coordinates and the cell parameters were optimized with DLS76
# assuming a pure SiO2 composition.
#
#**************************************************************************

_cell_length_a                  28.9960(0)
_cell_length_b                  13.9680(0)
_cell_length_c                  12.4490(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta               104.9100(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'C 2/m'
_symmetry_Int_Tables_number         12
_symmetry_cell_setting             monoclinic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2+x,1/2+y,+z'
'-x,+y,-z'
'1/2-x,1/2+y,-z'
'-x,-y,-z'
'1/2-x,1/2-y,-z'
'+x,-y,+z'
'1/2+x,1/2-y,+z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.4194    0.6797    0.7411
    O2    O     0.5076    0.6290    0.8415
    O3    O     0.4394    0.5000    0.7988
    O4    O     0.4414    0.6310    0.9514
    O5    O     0.4023    0.6809    0.1112
    O6    O     0.4252    0.5000    0.0890
    O7    O     0.2173    0.0000    0.8244
    O8    O     0.2957    0.9060    0.8355
    O9    O     0.2546    0.0000    0.6512
   O10    O     0.1941    0.4048    0.7853
   O11    O     0.2708    0.5000    0.7776
   O12    O     0.2418    0.5000    0.9608
   O13    O     0.2736    0.5000    0.5664
   O14    O     0.3379    0.4062    0.7161
   O15    O     0.1967    0.4055    0.4670
   O16    O     0.3288    0.7254    0.1919
   O17    O     0.2401    0.7693    0.1902
   O18    O     0.3085    0.7830    0.3751
   O19    O     0.3434    0.7376    0.5837
   O20    O     0.2500    0.7500    0.5000
   O21    O     0.3479    0.7670    0.7951
   O22    O     0.3281    0.7753    0.9881
   O23    O     0.3212    0.5943    0.0364
    T1    Si    0.4521    0.6099    0.8330
    T2    Si    0.4401    0.6099    0.0777
    T3    Si    0.2954    0.7954    0.2422
    T4    Si    0.3010    0.7941    0.4982
    T5    Si    0.3072    0.7938    0.8569
    T6    Si    0.3453    0.6950    0.0827
    T7    Si    0.3624    0.6957    0.7076
    T8    Si    0.2660    0.0000    0.7847
    T9    Si    0.2247    0.5000    0.8270
   T10    Si    0.3046    0.5000    0.6936
   T11    Si    0.2278    0.5000    0.4612
   T12    Si    0.2921    0.5000    0.0536

