data_EWT

#**************************************************************************
#
# 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    19.80114
_cell_length_b    19.80114
_cell_length_c    14.18779
_cell_angle_alpha   90.00000
_cell_angle_beta    90.00000
_cell_angle_gamma  120.00000

_symmetry_space_group_name_H-M 'P31c'
_symmetry_Int_Tables_number       159
_symmetry_cell_setting          trigonal

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

loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
T1    Si  0.91111   0.40998   0.59500 
T2    Si  0.76750   0.25253   0.60091 
T3    Si  0.64947   0.11566   0.49164 
T4    Si  0.73147   0.01139   0.75088 
T5    Si  0.92844   0.43082   0.99469 
T6    Si  0.77463   0.28303   0.95811 
T7    Si  0.67341   0.15080   0.08569 
T8    Si  0.73046   0.16587   0.79600 
T9    Si  0.55097   0.06503   0.78803 
T10   Si  0.44053   0.35306   0.28092 
T11   Si  0.68113   0.98165   0.54152 
T12   Si  0.66667   0.33333   0.64008 
T13   Si  0.66667   0.33333   0.86675 
O1    O   0.87521   0.45918   0.54804 
O2    O   0.91520   0.42120   0.70770 
O3    O   0.85445   0.31883   0.57213 
O4    O   0.71135   0.28954   0.60233 
O5    O   0.73469   0.18320   0.52434 
O6    O   0.76863   0.21769   0.70297 
O7    O   0.63993   0.12301   0.38004 
O8    O   0.64042   0.03187   0.51410 
O9    O   0.72999   0.01498   0.63758 
O11   O   0.89555   0.48225   0.04270 
O12   O   0.95230   0.45773   0.88694 
O13   O   0.86188   0.34013   0.99561 
O14   O   0.74367   0.33397   0.90440 
O15   O   0.71839   0.23883   0.04624 
O16   O   0.77300   0.21882   0.88705 
O17   O   0.66941   0.15159   0.19906 
O18   O   0.72084   0.10759   0.05582 
O19   O   0.75167   0.01326   0.95787 
O20   O   0.80276   0.99963   0.78370 
O21   O   0.99667   0.43881   0.55263 
O22   O   0.71174   0.06117   0.28731 
O23   O   0.63864   0.13676   0.79942 
O24   O   0.74257   0.09132   0.79465 
O25   O   0.55296   0.98824   0.75517 
O26   O   0.66667   0.33333   0.75341 
