data_MTW

#**************************************************************************
#
# 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                  25.5520(0)
_cell_length_b                   5.2560(0)
_cell_length_c                  12.1170(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta               109.3120(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     0.0045    0.0000    0.1313
    O2    O     0.0958    0.7501    0.2421
    O3    O     0.0876    0.0000    0.0490
    O4    O     0.0826    0.2500    0.8576
    O5    O     0.3440    0.0000    0.5710
    O6    O     0.3153    0.0000    0.7595
    O7    O     0.3434    0.0000    0.2079
    O8    O     0.3374    0.0000    0.9870
    O9    O     0.2508    0.7499    0.8515
   O10    O     0.2838    0.0000    0.3478
   O11    O     0.2500    0.7500    0.5000
    T1    Si    0.0710    0.0000    0.1660
    T2    Si    0.0621    0.0000    0.9083
    T3    Si    0.3671    0.0000    0.7119
    T4    Si    0.3789    0.0000    0.1199
    T5    Si    0.2885    0.0000    0.8625
    T6    Si    0.2813    0.0000    0.2134
    T7    Si    0.2818    0.0000    0.4791

