data_-SYT

#**************************************************************************
#
# 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                  27.3420
_cell_length_b                  27.3420
_cell_length_c                  13.9854
_cell_angle_alpha               90.0000
_cell_angle_beta                90.0000
_cell_angle_gamma               90.0000

_symmetry_space_group_name_H-M     'I 4/m c m'
_symmetry_Int_Tables_number         140
_symmetry_cell_setting             tetragonal

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
T1    Si      0.1353   0.1791	 0.1568
T2    Si      0.0310   0.2224	 0.1567
T3    Si      0.1059   0.1060	 0.0000
T4    Si      0.1657   0.2543	 0.0000
T5    Si      0.0000   0.1499	 0.0000
T6    Si      0.0628   0.2971	 0.0000
O1    O       0.1298   0.1301    0.0941
O2    O       0.0000   0.2376    0.2500
O3    O       0.0002   0.1839    0.0940
O4    O       0.0415   0.2707    0.0940
O5    O       0.1620   0.2206    0.0940
O6    O       0.0820   0.1981    0.1889
O7    O       0.2173   0.2827    0.0000
O8    O       0.0479   0.1155    0.0000
O9    O       0.1159   0.0480    0.0000
O10   O       0.1679   0.1679    0.2500
O11   O       0.1216   0.2933    0.0000
O12   O       0.0468   0.3537    0.0000

