data_SFE

#**************************************************************************
#
# 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                  11.4570(0)
_cell_length_b                   5.2550(0)
_cell_length_c                  13.9940(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta               100.9600(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'P 21/m'
_symmetry_Int_Tables_number         4
_symmetry_cell_setting             monoclinic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-x,1/2+y,-z'
'-x,-y,-z'
'+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     0.2847    0.2500    0.3040
    O2    O     0.3056    0.5000    0.1455
    O3    O     0.1087    0.2500    0.1536
    O4    O     0.3674    0.2500    0.4940
    O5    O     0.4792    0.0000    0.3757
    O6    O     0.3475    0.2500    0.6794
    O7    O     0.6564    0.2500    0.0081
    O8    O     0.4940    0.2500    0.8485
    O9    O     0.2915    0.5001    0.8265
   O10    O     0.8757    0.2500    0.1090
   O11    O     0.0000    0.0000    0.0000
    T1    Si    0.2512    0.2500    0.1869
    T2    Si    0.4024    0.2500    0.3878
    T3    Si    0.4387    0.2500    0.6049
    T4    Si    0.6347    0.2500    0.8910
    T5    Si    0.3564    0.2500    0.7957
    T6    Si    0.7370    0.2500    0.1156
    T7    Si    0.9958    0.2500    0.0653

