data_SOS

#**************************************************************************
#
# 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                  20.4370(0)
_cell_length_b                   7.1160(0)
_cell_length_c                   9.7260(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 n a'
_symmetry_Int_Tables_number         53
_symmetry_cell_setting             orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-x,+y,+z'
'1/2+x,-y,1/2+z'
'1/2-x,-y,1/2+z'
'-x,-y,-z'
'+x,-y,-z'
'1/2-x,+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
    O4    O     0.2046    0.5000    0.0000
    O5    O     0.1245    0.6037    0.8003
    O6    O     0.1726    0.0000    0.0000
    O7    O     0.1751    0.7358    0.1966
    O8    O     0.2500    0.5550    0.7500
    O9    O     0.0939    0.9639    0.7960
   O10    O     0.0779    0.2328    0.9796
   O11    O     0.0000    0.2901    0.1907
    T1    Si    0.1884    0.5177    0.1614
    T2    Si    0.0737    0.2402    0.1452
    T3    Si    0.1307    0.8811    0.1112

