data_LTF

#**************************************************************************
#
# 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                  31.1670(0)
_cell_length_b                  31.1670(0)
_cell_length_c                   7.6010(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                90.0000(0)
_cell_angle_gamma              120.0000(0)

_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number         194
_symmetry_cell_setting             hexagonal

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-y,+x-y,+z'
'-x+y,-x,+z'
'-x,-y,1/2+z'
'+y,-x+y,1/2+z'
'+x-y,+x,1/2+z'
'+y,+x,1/2+z'
'+x-y,-y,1/2+z'
'-x,-x+y,1/2+z'
'-y,-x,+z'
'-x+y,+y,+z'
'+x,+x-y,+z'
'-x,-y,-z'
'+y,-x+y,-z'
'+x-y,+x,-z'
'+x,+y,1/2-z'
'-y,+x-y,1/2-z'
'-x+y,-x,1/2-z'
'-y,-x,1/2-z'
'-x+y,+y,1/2-z'
'+x,+x-y,1/2-z'
'+y,+x,-z'
'+x-y,-y,-z'
'-x,-x+y,-z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.0000    0.4177    0.5000
    O2    O     0.0941    0.4870    0.4785
    O3    O     0.0700    0.3969    0.5771
    O4    O     0.0562    0.4140    0.2500
    O5    O     0.1845    0.5121    0.5770
    O6    O     0.2486    0.4972    0.7500
    O7    O     0.1538    0.4288    0.7500
    O8    O     0.1671    0.5266    0.2500
    O9    O     0.1621    0.5810    0.5045
   O10    O     0.0000    0.1626    0.5000
   O11    O     0.0560    0.2229    0.2500
   O12    O     0.0945    0.1891    0.4812
   O13    O     0.0684    0.2538    0.5770
   O14    O     0.0864    0.3339    0.7500
   O15    O     0.1523    0.3046    0.7500
    T1    Si    0.0550    0.4290    0.4519
    T2    Si    0.1520    0.5267    0.4525
    T3    Si    0.0547    0.2070    0.4523
    T4    Si    0.1928    0.4873    0.7500
    T5    Si    0.0953    0.3894    0.7500
    T6    Si    0.0940    0.2865    0.7500

