data_OSO

#**************************************************************************
#
# 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                  10.1010(0)
_cell_length_b                  10.1010(0)
_cell_length_c                   7.6470(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 62 2 2'
_symmetry_Int_Tables_number         180
_symmetry_cell_setting             hexagonal

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-y,+x-y,2/3+z'
'-x+y,-x,1/3+z'
'+y,+x,2/3-z'
'+x-y,-y,-z'
'-x,-x+y,1/3-z'
'-x,-y,+z'
'+y,-x+y,2/3+z'
'+x-y,+x,1/3+z'
'-y,-x,2/3-z'
'-x+y,+y,-z'
'+x,+x-y,1/3-z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.3171    0.6829    0.8333
    O2    O     0.4643    0.3570    0.7095
    T1    Si    0.2865    0.5731    0.0000
    T2    Si    0.0000    0.5000    0.1667

