data_UWY
#**************************************************************************
#
# 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                  25.1100(0)
_cell_length_b                  12.7330(0)
_cell_length_c                  11.5100(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 m m m'
_symmetry_Int_Tables_number         47
_symmetry_cell_setting             orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-x,-y,+z'
'-x,+y,-z'
'+x,-y,-z'
'-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
    O1    O  	0.0000    0.1622    0.3515
    O2    O  	0.0786    0.1370    0.5000
    O3    O  	0.0994    0.1879    0.2826
    O4    O  	0.0638    0.0000    0.3318
    O5    O  	0.3787    0.3063    0.2817
    O6    O  	0.2825    0.3427    0.3582
    O7    O  	0.3493    0.5000    0.3307
    O8    O  	0.3635    0.3640    0.5000
    O9    O  	0.1845    0.3074    0.2860
   O10    O  	0.2016    0.3709    0.5000
   O11    O  	0.2166    0.5000    0.3248
   O12    O  	0.3741    0.1034    0.3195
   O13    O  	0.3476    0.1781    0.1141
   O14    O  	0.4477    0.1803    0.1833
   O15    O  	0.1705    0.1767    0.1135
   O16    O  	0.1930    0.1036    0.3212
   O17    O  	0.1802    0.0000    0.0000
   O18    O  	0.2596    0.1353    0.0000
   O19    O  	0.3391    0.0000    0.0000
   O20    O  	0.3374    0.0000    0.5000
   O21    O  	0.2836    0.0000    0.3053
   O22    O  	0.2304    0.0000    0.5000
   O23    O  	0.5000    0.1168    0.0000
   O24    O  	0.5000    0.0000    0.1872
    T1    Si 	0.0604    0.1222    0.3668
    T2    Si 	0.3438    0.3785    0.3677
    T3    Si 	0.2213    0.3799    0.3673
    T4    Si 	0.3866    0.1922    0.2238
    T5    Si 	0.1618    0.1936    0.2507
    T6    Si 	0.1959    0.1225    0.0000
    T7    Si 	0.3234    0.1225    0.0000
    T8    Si 	0.3425    0.0000    0.3608
    T9    Si 	0.2247    0.0000    0.3609
   T10    Si 	0.5000    0.1190    0.1396

