data_UOZ
#**************************************************************************
#
# 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                   8.6210(0)
_cell_length_b                   8.6210(0)
_cell_length_c                  27.5440(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                90.0000(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'P 4/n n c'
_symmetry_Int_Tables_number         126
_space_group.IT_coordinate_system_code  '2'
_symmetry_cell_setting             tetragonal

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.1387    0.8537    0.0340
    O2    O     0.9374    0.6429    0.0596
    O3    O     0.0507    0.8325    0.1256
    O4    O     0.3591    0.8565    0.2838
    O5    O     0.9377    0.6436    0.1916
    T1    Si    0.9959    0.8170    0.0699
    T2    Si    0.8180    0.5041    0.1812
    T3    Si    0.2500    0.7500    0.0000
    T4    Si    0.2500    0.7500    0.2500

