data_JOZ

#**************************************************************************
#
# 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                   7.1386(0)
_cell_length_b                  12.7091(0)
_cell_length_c                  13.4705(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     'P 2/b 21/c 21/m'
_symmetry_Int_Tables_number         57
_symmetry_cell_setting             orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-x,-y,1/2+z'
'-x,1/2+y,1/2-z'
'+x,1/2-y,-z'
'-x,-y,-z'
'+x,+y,1/2-z'
'+x,1/2-y,1/2+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  	0.8360    0.5140    0.5798
    O2    O  	0.1978    0.5331    0.6089
    O3    O  	0.9851    0.7008    0.5861
    O4    O  	0.9586    0.5886    0.7500
    O5    O  	0.2746    0.1577    0.0447
    O6    O  	0.5000    0.0000    0.0000
    T1    Si 	0.9961    0.5840    0.6325
    T2    Si 	0.2864    0.0340    0.0190
    T3    Si 	0.1448    0.2500    0.0000

