data_OWE

#**************************************************************************
#
# 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                  14.3550(0)
_cell_length_b                   7.1660(0)
_cell_length_c                   9.0800(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   'P m m a'
_symmetry_Int_Tables_number 	  51
_space_group_crystal_system       orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2-x,+y,+z'
'+x,-y,+z'
'1/2-x,-y,+z'
'-x,-y,-z'
'1/2+x,-y,-z'
'-x,+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     0.0794    0.3166    0.2168
    O2    O     0.1122    0.0000    0.3528
    O3    O     0.1234    0.3165    0.4974
    O4    O     0.2500    0.2324    0.2979
    O5    O     0.0766    0.5000    0.7378
    O6    O     0.2500    0.5000    0.6474
    O7    O     0.0000    0.5000    0.0000
    T1    Si    0.1416    0.2162    0.3413
    T2    Si    0.1429    0.5000    0.5949
    T3    Si    0.0206    0.5000    0.1739

