data_YUG
#**************************************************************************
#
# 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                  10.2480(0)
_cell_length_b                  13.7880(0)
_cell_length_c                   6.7820(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta               111.5450(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     0.2500    0.2500    0.5000
    O2    O     0.3399    0.1685    0.2237
    O3    O     0.2742    0.3535    0.1898
    O4    O     0.5000    0.2935    0.5000
    O5    O     0.3542    0.0000    0.0525
    O6    O     0.5000    0.1481    0.0000
    T1    Si    0.3411    0.2663    0.3538
    T2    Si    0.3549    0.1156    0.0214

