#*********************************************************************************
#
# Crystallographic Information File for Li-LSX 
#
# Reference : 
#   Feuerstein, M. and Lobo, R.F.
#   Chem. Mater., , 2197-2204, (1998)
#
#
# 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_Li-LSX
_chemical_name_systematic 'Li-LSX'

_cell_length_a      25.6957
_cell_length_b      25.6957
_cell_length_c      25.6957 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   90
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'F d -3'
_symmetry_space_group_name_H-M   'F d -3'
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_space_group.IT_number  203 
_space_group.IT_coordinate_system_code  '2'

 
 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
Si1  Si  -0.048  0.1246  0.0376  1.5  1
Al1  Al  -0.0511  0.0378  0.1224  1.5  1
O1  O  -0.1045  0.0028  0.0972  2.13  1
O2  O  0.0001  -0.0007  0.1533  2.13  1
O3  O  -0.022  0.0724  0.0702  2.13  1
O4  O  -0.0742  0.0812  0.1711  2.13  1
Li1  Li  0.0466  0.0466  0.0466  4.58  0.978
Li2  Li  0.2232  0.2232  0.2232  2.92  1.047
Li3  Li  0.387  0.401  0.122  7.82  0.235

# End of data for Li-LSX