data_UOE

#**************************************************************************
#
# 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     9.08694
_cell_length_b     7.55481
_cell_length_c    10.47614
_cell_angle_alpha   90.00000
_cell_angle_beta   108.33300
_cell_angle_gamma   90.00000
_cell_volume 682.683

_symmetry_space_group_name_H-M 'P 1 2/m 1'
_symmetry_Int_Tables_number         10
_symmetry_cell_setting          monoclinic

loop_
  _symmetry_equiv_pos_as_xyz
X,Y,Z
X,-Y,Z
-X,-Y,-Z
-X,Y,-Z

loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
Si1  Si   0.31382   0.29686   0.30983 
Si2  Si   0.33105   0.29692   0.60738 
Si3  Si   0.87968   0.00000   0.35016 
Si4  Si   0.09307   0.00000   0.15823 
O1   O    0.26874   0.27903   0.44610 
O2   O    0.29548   0.50000   0.26086 
O3   O    0.49060   0.23469   0.33753 
O4   O    0.20044   0.17400   0.19498 
O5   O    0.31786   0.50000   0.64909 
O6   O    0.22792   0.17387   0.67162 
O7   O    0.00000   0.00000   0.50000 
O8   O    0.97196   0.00000   0.24193 
O9   O    0.00000   0.00000   0.00000 
