data_EUO

#**************************************************************************
#
# 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                  13.9010(0)
_cell_length_b                  22.8610(0)
_cell_length_c                  20.5820(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     'C m m a'
_symmetry_Int_Tables_number         67
_symmetry_cell_setting             orthorhombic

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.2500    0.4149    0.5000
    O2    O     0.2431    0.3917    0.3742
    O3    O     0.4032    0.4303    0.4248
    O4    O     0.2500    0.5000    0.4153
    O5    O     0.2500    0.3624    0.0000
    O6    O     0.1612    0.3078    0.0938
    O7    O     0.0932    0.4076    0.0443
    O8    O     0.2433    0.4081    0.1193
    O9    O     0.4044    0.4336    0.1730
   O10    O     0.2500    0.5000    0.1959
   O11    O     0.2636    0.3937    0.2459
   O12    O     0.1675    0.3070    0.3031
   O13    O     0.0949    0.4107    0.2980
   O14    O     0.0000    0.4996    0.2507
   O15    O     0.0000    0.4808    0.3760
   O16    O     0.0000    0.5000    0.5000
   O17    O     0.0000    0.4760    0.1252
   O18    O     0.0000    0.5000    0.0000
   O19    O     0.1126    0.2500    0.1996
   O20    O     0.0000    0.2500    0.0969
   O21    O     0.0000    0.2500    0.3018
    T1    Si    0.2874    0.4344    0.4290
    T2    Si    0.1872    0.3711    0.0648
    T3    Si    0.2898    0.4346    0.1847
    T4    Si    0.1946    0.3755    0.3054
    T5    Si    0.0000    0.4499    0.3059
    T6    Si    0.0000    0.5314    0.4302
    T7    Si    0.0000    0.4486    0.0532
    T8    Si    0.0000    0.5272    0.1788
    T9    Si    0.1098    0.2500    0.1216
   T10    Si    0.1104    0.2500    0.2778

