data_STF

#**************************************************************************
#
# 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                  14.1040(0)
_cell_length_b                  18.2050(0)
_cell_length_c                   7.4770(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                98.9890(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
    O1    O     0.6460    0.0000    0.6122
    O2    O     0.6923    0.9279    0.3329
    O3    O     0.5289    0.0000    0.3038
    O4    O     0.6090    0.0722    0.8976
    O5    O     0.3255    0.6748    0.3772
    O6    O     0.3892    0.7950    0.2424
    O7    O     0.3509    0.7945    0.5749
    O8    O     0.5000    0.7218    0.5000
    O9    O     0.3132    0.8194    0.9019
   O10    O     0.5000    0.8234    0.0000
    T1    Si    0.3984    0.8413    0.0627
    T2    Si    0.3918    0.7466    0.4229
    T3    Si    0.2864    0.8420    0.6917
    T4    Si    0.6400    0.0000    0.3954
    T5    Si    0.5838    0.0000    0.7754

