data_OFF

#**************************************************************************
#
# 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                  13.0630(0)
_cell_length_b                  13.0630(0)
_cell_length_c                   7.5650(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                90.0000(0)
_cell_angle_gamma              120.0000(0)

_symmetry_space_group_name_H-M     'P -6 m 2'
_symmetry_Int_Tables_number         187
_symmetry_cell_setting             hexagonal

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-y,+x-y,+z'
'-x+y,-x,+z'
'+x,+y,-z'
'-y,+x-y,-z'
'-x+y,-x,-z'
'-y,-x,+z'
'-x+y,+y,+z'
'+x,+x-y,+z'
'-y,-x,-z'
'-x+y,+y,-z'
'+x,+x-y,-z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.0961    0.1921    0.2244
    O2    O     0.8718    0.1282    0.2618
    O3    O     0.0365    0.3477    0.3263
    O4    O     0.9950    0.2679    0.0000
    O5    O     0.2359    0.4718    0.5000
    O6    O     0.0756    0.5378    0.5000
    T1    Si    0.9998    0.2340    0.2032
    T2    Si    0.0964    0.4264    0.5000

