data_SSY

#**************************************************************************
#
# 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                   5.2580(0)
_cell_length_b                  22.5790(0)
_cell_length_c                  13.9770(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 n'
_symmetry_Int_Tables_number         59
_symmetry_cell_setting             orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2-x,+y,+z'
'+x,1/2-y,+z'
'1/2-x,1/2-y,+z'
'-x,-y,-z'
'1/2+x,-y,-z'
'-x,1/2+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
    O1    O     0.7500    0.8081    0.2104
    O2    O     0.0000    0.7500    0.0774
    O3    O     0.2500    0.6917    0.9448
    O4    O     0.7500    0.6085    0.3407
    O5    O     0.0000    0.5925    0.1803
    O6    O     0.7500    0.5664    0.5176
    O7    O     0.9999    0.5117    0.3801
    O8    O     0.7500    0.4161    0.9815
    O9    O     0.5000    0.3938    0.1401
   O10    O     0.2500    0.4270    0.2930
   O11    O     0.2500    0.4948    0.1393
    T1    Si    0.7500    0.7500    0.1437
    T2    Si    0.2500    0.7500    0.0111
    T3    Si    0.7500    0.6214    0.2273
    T4    Si    0.7500    0.5496    0.4057
    T5    Si    0.7500    0.3780    0.0787
    T6    Si    0.2500    0.4707    0.3840
    T7    Si    0.2500    0.4276    0.1778
    T8    Si    0.2500    0.5658    0.1299

