data_SFO

#**************************************************************************
#
# 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                  22.5850(0)
_cell_length_b                  13.5680(0)
_cell_length_c                   6.9710(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                99.0160(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'C 2/m'
_symmetry_Int_Tables_number         12
_symmetry_cell_setting             monoclinic

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
    O5    O     0.9282    0.0000    0.0467
    O6    O     0.7841    0.1297    0.0825
    O7    O     0.0000    0.1477    0.0000
    O8    O     0.7208    0.0000    0.8562
    O9    O     0.8410    0.1855    0.4239
   O10    O     0.8145    0.6849    0.1437
   O11    O     0.8975    0.1813    0.1215
   O12    O     0.7810    0.8620    0.7044
   O13    O     0.8987    0.1260    0.7607
   O14    O     0.8344    0.0000    0.5295
    T1    Si    0.8344    0.2028    0.1931
    T2    Si    0.9311    0.8864    0.9822
    T3    Si    0.7428    0.8870    0.8748
    T4    Si    0.8388    0.1124    0.6046

