data_EWO

#**************************************************************************
#
# 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                  13.8968
_cell_length_b                  17.4548
_cell_length_c                   5.1892
_cell_angle_alpha               90.0000
_cell_angle_beta                90.0000
_cell_angle_gamma               90.0000

_symmetry_space_group_name_H-M     'C 2 2 2'
_symmetry_Int_Tables_number         21
_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,+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
T1    Si   0.2088    0.3356   0.9583
T2    Si   0.2043    0.0911   0.4587
T3    Si   0.0000    0.1718   0.5000
T4    Si   0.0000    0.2805   0.0000
O1    O    0.2303    0.3669   0.6722
O2    O    0.2414    0.1107   0.1722
O3    O    0.0944    0.3339   0.0081
O4    O    0.2500    0.2500   0.9881
O5    O    0.0040    0.2262   0.7500
O6    O    0.2106    0.0000   0.5000
O7    O    0.0944    0.1186   0.4896

