data_USI
#**************************************************************************
#
# 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                  21.1190(0)
_cell_length_b                  12.9710(0)
_cell_length_c                   9.6720(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta               108.3670(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'C 2/m'
_symmetry_Int_Tables_number         12
_symmetry_cell_setting             monoclinic

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.6601    0.1356    0.1896
    O2    O     0.7375    0.0000    0.1195
    O3    O     0.7790    0.1900    0.1810
    O4    O     0.6825    0.1494    0.9378
    O5    O     0.8401    0.2008    0.6507
    O6    O     0.7471    0.1236    0.7477
    O7    O     0.8128    0.0000    0.6277
    O8    O     0.7284    0.1341    0.4662
    O9    O     0.5978    0.8689    0.3888
   O10    O     0.6237    0.1903    0.6608
   O11    O     0.5000    0.1542    0.5000
   O12    O     0.5843    0.0000    0.5852
    T1    Si    0.7147    0.1190    0.1068
    T2    Si    0.7827    0.1145    0.6233
    T3    Si    0.6610    0.8250    0.3481
    T4    Si    0.5764    0.1187    0.5339
    T5    Si    0.6934    0.8064    0.7914

