data_ZON
#**************************************************************************
#
# 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                   6.9180(0)
_cell_length_b                  14.8700(0)
_cell_length_c                  17.2360(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 b c m'
_symmetry_Int_Tables_number         57
_symmetry_cell_setting             orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-x,1/2+y,+z'
'+x,1/2-y,1/2+z'
'-x,-y,1/2+z'
'-x,-y,-z'
'+x,1/2-y,-z'
'-x,1/2+y,1/2-z'
'+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     0.9169    0.6789    0.3694
    O2    O     0.2937    0.6822    0.3876
    O3    O     0.1063    0.8324    0.3597
    O4    O     0.1434    0.7105    0.2500
    O5    O     0.0821    0.0043    0.3957
    O6    O     0.3080    0.8980    0.4765
    O7    O     0.9307    0.8821    0.4877
    O8    O     0.6118    0.6004    0.4311
    O9    O     0.5059    0.7500    0.5000
    T1    Si    0.1146    0.7262    0.3416
    T2    Si    0.1069    0.9040    0.4297
    T3    Si    0.8443    0.6005    0.4268
    T4    Si    0.4297    0.8415    0.5395

