data_SEW

#**************************************************************************
#
# 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    23.72894
_cell_length_b    11.29319
_cell_length_c    14.47187
_cell_angle_alpha   90.00000
_cell_angle_beta    90.00000
_cell_angle_gamma   90.00000
_cell_volume ??

_symmetry_space_group_name_H-M     'P 21/m 21/m 2/n'
_symmetry_Int_Tables_number         59
_space_group.IT_coordinate_system_code  '2'
_symmetry_cell_setting             orthorhombic

loop_
  _symmetry_equiv_pos_as_xyz
X,Y,Z
-X+1/2,Y,Z
X,-Y+1/2,Z
-X+1/2,-Y+1/2,Z
-X,-Y,-Z
X+1/2,-Y,-Z
-X,Y+1/2,-Z
X+1/2,Y+1/2,-Z

loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
T1   Si   0.43233   0.50904   0.09525 
T2   Si   0.35781   0.38998   0.22798 
T3   Si   0.55196   0.61580   0.07741 
T4   Si   0.65560   0.61507   0.20338 
T5   Si   0.31572   0.49691   0.40747 
T6   Si   0.68232   0.61756   0.40646 
T7   Si   0.31427   0.75000   0.31924 
T8   Si   0.36636   0.75000   0.12307 
T9   Si   0.25000   0.39051   0.12400 
T10  Si   0.75000   0.50521   0.07828 
T11  Si   0.75000   0.25000   0.98945 
O1   O    0.75000   0.36632   0.05359 
O2   O    0.80533   0.25000   0.92534 
O3   O    0.30543   0.44555   0.17190 
O4   O    0.25000   0.41675   0.01471 
O5   O    0.25000   0.25000   0.14223 
O6   O    0.32512   0.86591   0.38167 
O7   O    0.35752   0.75000   0.23340 
O8   O    0.25000   0.75000   0.28324 
O9   O    0.41571   0.44911   0.19258 
O10  O    0.49960   0.52613   0.08893 
O11  O    0.41225   0.42335   0.01231 
O12  O    0.40055   0.63462   0.08941 
O13  O    0.35080   0.41474   0.33689 
O14  O    0.36041   0.25000   0.20831 
O15  O    0.80545   0.53341   0.13842 
O16  O    0.59135   0.60883   0.16791 
O17  O    0.52977   0.75000   0.06614 
O18  O    0.65894   0.56987   0.30880 
O19  O    0.67731   0.75000   0.19816 
O20  O    0.33670   0.46961   0.51119 
O21  O    0.25000   0.46353   0.39858 
O22  O    0.65936   0.75000   0.42430 
O23  O    0.75000   0.62194   0.40252 
