data_AWO

#**************************************************************************
#
# 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                   9.1010(0)
_cell_length_b                  15.0350(0)
_cell_length_c                  19.2410(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 c a'
_symmetry_Int_Tables_number         64
_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,1/2+z'
'1/2+x,-y,1/2+z'
'-x,1/2-y,1/2+z'
'1/2-x,-y,1/2+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,1/2-z'
'1/2-x,+y,1/2-z'
'+x,1/2+y,1/2-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     0.2500    0.8898    0.2500
    O2    O     0.0000    0.8607    0.3149
    O3    O     0.2274    0.7560    0.3368
    O4    O     0.2299    0.9196    0.3842
    O5    O     0.2192    0.0913    0.1158
    O6    O     0.1957    0.0000    0.0000
    O7    O     0.0000    0.9789    0.0993
    O8    O     0.2500    0.1211    0.2500
    O9    O     0.5000    0.1546    0.3108
    T1    Si    0.1760    0.8567    0.3215
    T2    Si    0.1706    0.9973    0.0827
    T3    Si    0.3248    0.1558    0.3208

