data_UEI

#**************************************************************************
#
# 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                  19.4600(0)
_cell_length_b                   9.3510(0)
_cell_length_c                  15.1070(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                90.0000(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'F m m 2'
_symmetry_Int_Tables_number         42
_symmetry_cell_setting             orthorhombic

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.7500    0.7500    0.1040
    O2    O     0.6642    0.7164    0.2384
    O3    O     0.6161    0.7933    0.9045
    O4    O     0.6160    0.7702    0.5752
    O5    O     0.7500    0.7500    0.8751
    O6    O     0.6963    0.0000    0.8430
    O7    O     0.5000    0.8025    0.9956
    O8    O     0.6867    0.0000    0.6268
    O9    O     0.5963    0.0000    0.0233
    T1    Si    0.6793    0.8275    0.6360
    T2    Si    0.6807    0.6706    0.3401
    T3    Si    0.5822    0.8327    0.0000

