data_EZT

#**************************************************************************
#
# 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                  10.2330(250)
_cell_length_b                  12.5580(170)
_cell_length_c                  21.7170(120)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                90.0000(700)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'I m m a'
_symmetry_Int_Tables_number         74
_symmetry_cell_setting             orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2+x,1/2+y,1/2+z'
'-x,+y,+z'
'1/2-x,1/2+y,1/2+z'
'+x,1/2-y,+z'
'1/2+x,-y,1/2+z'
'-x,1/2-y,+z'
'1/2-x,-y,1/2+z'
'-x,-y,-z'
'1/2-x,1/2-y,1/2-z'
'+x,-y,-z'
'1/2+x,1/2-y,1/2-z'
'-x,1/2+y,-z'
'1/2-x,+y,1/2-z'
'+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     0.1930    0.4507    0.0542
    O2    O     0.3713    0.3780    0.1314
    O3    O     0.1285    0.4027    0.1680
    O4    O     0.1890    0.2500    0.0905
    O5    O     0.0000    0.4418    0.6293
    O6    O     0.0000    0.5569    0.7298
    O7    O     0.0000    0.7500    0.7749
    O8    O     0.1283    0.9059    0.4729
    O9    O     0.0000    0.7500    0.4179
    T1    Si    0.2204    0.3708    0.1108
    T2    Si    0.0000    0.5616    0.6558
    T3    Si    0.0000    0.8744    0.7925
    T4    Si    0.0000    0.8750    0.4340
    T5    Si    0.2182    0.5000    0.5000

