data_EWF

#**************************************************************************
#
# 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.
#
#**************************************************************************

_symmetry_space_group_name_H-M  'C m c m'
_symmetry_Int_Tables_number     63
_symmetry_cell_setting          Orthorhombic

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

_cell_length_a                   11.0485    
_cell_length_b                   22.9909    
_cell_length_c                   25.4632    
_cell_angle_alpha                90         
_cell_angle_beta                 90         
_cell_angle_gamma                90         

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
T1      Si   0.35942     0.24616     0.18815    
T2      Si   0.35581     0.37013     0.15689    
T3      Si   0.26446     0.43817     0.06044    
T4      Si   0.25439     0.12954     0.15399    
T5      Si   0.14440     0.06501     0.05679    
T6      Si   0.26056     0.44635     0.25       
T7      Si   0.13797     0.07104     0.25       
T8      Si   0.5         0.05875     0.15693    
T9      Si   0.          0.47811     0.05986    
T10     Si   0.          0.46606     0.25       
O1      O    0.30028     0.30874     0.17553    
O2      O    0.31435     0.38754     0.09841    
O3      O    0.32446     0.42090     0.19810    
O4      O    0.28209     0.19826     0.15636    
O5      O    0.20269     0.11093     0.09736    
O6      O    0.15892     0.11070     0.19863    
O7      O    0.29747     0.42359     0.00030    
O8      O    0.17675    -0.00001     0.07572    
O9      O    0.12001     0.43982     0.06885    
O10     O    0.38050     0.09724     0.16612    
O11     O    0.34803     0.23287     0.25       
O12     O    0.22866     0.01621     0.25       
O13     O    0.12050     0.42676     0.25       
O14     O    0.5         0.36119     0.15574    
O15     O    0.5         0.24488     0.17141    
O16     O    0.5         0.00569     0.19803    
O17     O    0.5         0.03404     0.09782    
O18     O    0.          0.07353     0.05440    
O19     O    0.          0.04837     0.25       
O20     O    0.5         0.          0.         
