data_JRY

#**************************************************************************
#
# 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                   8.1650(0)
_cell_length_b                   9.2000(0)
_cell_length_c                  17.2940(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                90.0000(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'I 21 21 21'
_symmetry_Int_Tables_number         24
_symmetry_cell_setting             orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2+x,1/2+y,1/2+z'
'1/2-x,-y,1/2+z'
'-x,1/2-y,+z'
'-x,1/2+y,1/2-z'
'1/2-x,+y,-z'
'1/2+x,1/2-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     0.7500    0.1914    0.0000
    O2    O     0.5468    0.9834    0.0393
    O3    O     0.7479    0.0923    0.1419
    O4    O     0.5000    0.2500    0.0916
    O5    O     0.0478    0.0099    0.1050
    O6    O     0.2500    0.9055    0.0000
    O7    O     0.0000    0.7500    0.0470
    O8    O     0.0000    0.7500    0.3160
    O9    O     0.9498    0.0000    0.2500
    T1   Si     0.6348    0.1303    0.0683
    T2   Si     0.0626    0.9119    0.0281
    T3   Si     0.9360    0.9130    0.3303

