data_JSN

#**************************************************************************
#
# 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                   8.7172(0)
_cell_length_b                   6.9231(0)
_cell_length_c                  14.9460(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                96.9920(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'P 1 2/c 1'
_symmetry_Int_Tables_number         13
_symmetry_cell_setting             monoclinic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-x,+y,1/2-z'
'-x,-y,-z'
'+x,-y,1/2+z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.7240    0.2994    0.1980
    O2    O     0.7755    0.1056    0.3494
    O3    O     0.7717    0.9257    0.1929
    O4    O     0.0000    0.1621    0.2500
    O5    O     0.7038    0.9178    0.0158
    O6    O     0.5174    0.0607    0.8803
    O7    O     0.5475    0.6852    0.9002
    O8    O     0.6389    0.3819    0.6117
    O9    O     0.5000    0.5114    0.2500
    T1    Si    0.8180    0.1216    0.2478
    T2    Si    0.6368    0.8891    0.9113
    T3    Si    0.6506    0.1498    0.6104
    T4    Si    0.4211    0.4357    0.3355

