data_LIT

#**************************************************************************
#
# 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                  14.8440(0)
_cell_length_b                   8.5940(0)
_cell_length_c                   9.7840(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 n m a'
_symmetry_Int_Tables_number 	62
_symmetry_cell_setting           orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+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,-y,-z'
'1/2+x,1/2-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     0.0555    0.9595    0.0990
    O2    O     0.0393    0.2500    0.1795
    O3    O     0.9406    0.0316    0.2935
    O4    O     0.1147    0.0433    0.3413
    O5    O     0.2156    0.4599    0.8165
    O6    O     0.1799    0.7500    0.7513
    O7    O     0.2068    0.5424    0.5581
    O8    O     0.1613    0.7500    0.3734
    T1    Si    0.0375    0.0711    0.2283
    T2    Si    0.1654    0.5710    0.7081
    T3    Si    0.1918    0.5722    0.3972

