data_VET
#**************************************************************************
#
# 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                  13.0480(0)
_cell_length_b                  13.0480(0)
_cell_length_c                   4.9480(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 -4'
_symmetry_Int_Tables_number         81
_symmetry_cell_setting             tetragonal

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.0941    0.0355    0.6889
    O2    O     0.2560    0.1424    0.5485
    O3    O     0.2384    0.0791    0.0473
    O4    O     0.2742    0.9461    0.6582
    O5    O     0.7233    0.2426    0.8430
    O6    O     0.8330    0.4100    0.7859
    O7    O     0.5781    0.1792    0.5119
    O8    O     0.5867    0.1098    0.0117
    O9    O     0.5000    0.0000    0.3922
    T1    Si    0.2152    0.0503    0.7368
    T2    Si    0.8341    0.2870    0.7603
    T3    Si    0.6532    0.1466    0.7557
    T4    Si    0.5186    0.1147    0.2826
    T5    Si    0.0000    0.0000    0.5000

