data_NON

#**************************************************************************
#
# 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                  22.8620(0)
_cell_length_b                  15.6560(0)
_cell_length_c                  13.9350(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     'F m m m'
_symmetry_Int_Tables_number         69
_symmetry_cell_setting             orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'+x,1/2+y,1/2+z'
'1/2+x,1/2+y,+z'
'1/2+x,+y,1/2+z'
'-x,+y,+z'
'-x,1/2+y,1/2+z'
'1/2-x,1/2+y,+z'
'1/2-x,+y,1/2+z'
'+x,-y,+z'
'+x,1/2-y,1/2+z'
'1/2+x,1/2-y,+z'
'1/2+x,-y,1/2+z'
'-x,-y,+z'
'-x,1/2-y,1/2+z'
'1/2-x,1/2-y,+z'
'1/2-x,-y,1/2+z'
'-x,-y,-z'
'-x,1/2-y,1/2-z'
'1/2-x,1/2-y,-z'
'1/2-x,-y,1/2-z'
'+x,-y,-z'
'+x,1/2-y,1/2-z'
'1/2+x,1/2-y,-z'
'1/2+x,-y,1/2-z'
'-x,+y,-z'
'-x,1/2+y,1/2-z'
'1/2-x,1/2+y,-z'
'1/2-x,+y,1/2-z'
'+x,+y,-z'
'+x,1/2+y,1/2-z'
'1/2+x,1/2+y,-z'
'1/2+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     0.3492    0.0842    0.2495
    O2    O     0.4425    0.1420    0.3385
    O3    O     0.3737    0.2500    0.2500
    O4    O     0.3376    0.1775    0.4060
    O5    O     0.2500    0.2500    0.0000
    O6    O     0.2628    0.4162    0.0000
    O7    O     0.5000    0.1239    0.5000
    O8    O     0.5000    0.0000    0.6279
    O9    O     0.3176    0.5000    0.4048
   O10    O     0.2500    0.5000    0.2500
    T1    Si    0.3757    0.1625    0.3103
    T2    Si    0.2969    0.3264    0.0000
    T3    Si    0.5000    0.1018    0.6127
    T4    Si    0.3162    0.5000    0.2892
    T5    Si    0.2778    0.5000    0.5000

