data_LAU

#**************************************************************************
#
# 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                  14.5870(0)
_cell_length_b                  12.8770(0)
_cell_length_c                   7.6130(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta               111.1590(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'C 2/m'
_symmetry_Int_Tables_number         12
_symmetry_cell_setting             monoclinic

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.3514    0.3446    0.2784
    O2    O     0.2360    0.5000    0.2857
    O3    O     0.1698    0.3082    0.2537
    O4    O     0.3011    0.3723    0.5736
    O5    O     0.3631    0.3646    0.9433
    O6    O     0.4809    0.3097    0.7674
    O7    O     0.4507    0.5000    0.2099
    T1    Si    0.2646    0.3813    0.3478
    T2    Si    0.3688    0.3096    0.7576
    T3    Si    0.4210    0.3798    0.1660

