#*********************************************************************************
#
# Crystallographic Information File for LZ-135 
#
# Reference : 
#   McCusker, L.B., Baerlocher, Ch., Wilson, S.T. and Broach, R.W
#   J. Phys. Chem. C, 113, 9838-9850, (2009)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker,
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
#**********************************************************************************


data_LZ-135
_chemical_name_systematic 'LZ-135'

_cell_length_a      31.383
_cell_length_b      31.383
_cell_length_c      7.6513 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   120
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'P 63/m m c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_symmetry_space_group_name_Hall  '-P 6c 2c'
_space_group.IT_number  194 

 
 loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
SiAl1  Si  0.0531  0.4314  0.4558  0.9  1
SiAl2  Si  0.1912  0.4849  0.75  0.9  1
SiAl3  Si  0.1532  0.5262  0.4598  0.9  1
SiAl4  Si  0.0538  0.2059  0.4564  0.9  1
SiAl5  Si  0.0858  0.3848  0.75  0.9  1
SiAl6  Si  0.0917  0.2842  0.75  0.9  1
O1  O  0  0.4268  0.5  1.8  1
O2  O  0.0942  0.4887  0.504  1.8  1
O3  O  0.0591  0.3895  0.5686  1.8  1
O4  O  0.0554  0.418  0.25  1.8  1
O5  O  0.1907  0.5157  0.5772  1.8  1
O6  O  0.2394  0.4788  0.75  1.8  1
O7  O  0.1444  0.4277  0.75  1.8  1
O8  O  0.1663  0.5242  0.25  1.8  1
O9  O  0.1625  0.5812  0.514  1.8  1
O10  O  0  0.1582  0.5  1.8  1
O11  O  0.0562  0.2219  0.25  1.8  1
O12  O  0.094  0.188  0.499  1.8  1
O13  O  0.0624  0.2529  0.5758  1.8  1
O14  O  0.0866  0.3332  0.75  1.8  1
O15  O  0.1508  0.3016  0.75  1.8  1
Ow1  O  0.0459  0.3114  0.25  4  1
Ow2  O  0.1077  0.076  0.25  4  0.43
Na1  Na  0.2238  0.6119  0.75  3.9  0.49
Na2  Na  0.2668  0.5335  0.403  3.9  0.34
Na3  Na  0.1931  0.3862  0.75  3.9  0.66
Na4  Na  0.08444  0.5422  0.75  3.9  0.473
Na5  Na  0.01902  0.5095  0.616  3.9  0.26
Na6  Na  0  0.2923  0.5  3.9  0.88

# End of data for LZ-135