data_SFN

#**************************************************************************
#
# 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                  25.2210(0)
_cell_length_b                   5.2560(0)
_cell_length_c                  15.0220(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta               103.8900(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     0.4868    0.5000    0.5978
    O2    O     0.5677    0.2499    0.7049
    O3    O     0.5840    0.5000    0.5623
    O4    O     0.6054    0.7500    0.4233
    O5    O     0.6701    0.0000    0.3414
    O6    O     0.7592    0.2500    0.3320
    O7    O     0.7038    0.0000    0.1889
    O8    O     0.6351    0.0000    0.8357
    O9    O     0.6502    0.0000    0.6680
   O10    O     0.6899    0.0000    0.5215
   O11    O     0.6916    0.0000    0.0088
   O12    O     0.7274    0.7499    0.8835
    T1    Si    0.5515    0.5000    0.6424
    T2    Si    0.5770    0.5000    0.4529
    T3    Si    0.7230    0.0000    0.2993
    T4    Si    0.6054    0.0000    0.7282
    T5    Si    0.6428    0.0000    0.4278
    T6    Si    0.7053    0.0000    0.6319
    T7    Si    0.6953    0.0000    0.9032
    T8    Si    0.7348    0.0000    0.1069

