data_JST

#**************************************************************************
#
# 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                  14.9700(0)
_cell_length_b                  14.9700(0)
_cell_length_c                  14.9700(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 a -3'
_symmetry_Int_Tables_number         205
_symmetry_cell_setting             cubic

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O  	0.8714    0.0849    0.9669
    O2    O  	0.7490    0.0192    0.0769
    O3    O  	0.8208    0.1797    0.1032
    O4    O  	0.9398    0.2995    0.1505
    T1    Si 	0.8380    0.0791    0.0691
    T2    Si 	0.8710    0.2701    0.0731

