data_PAR

#**************************************************************************
#
# 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                  21.5550(0)
_cell_length_b                   8.7610(0)
_cell_length_c                   9.3040(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                91.5500(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'C 2/c'
_symmetry_Int_Tables_number         15
_space_group_crystal_system         monoclinic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2+x,1/2+y,+z'
'-x,+y,1/2-z'
'1/2-x,1/2+y,1/2-z'
'-x,-y,-z'
'1/2-x,1/2-y,-z'
'+x,-y,1/2+z'
'1/2+x,1/2-y,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     0.0695    0.0181    0.2162
    O2    O     0.0725    0.1719    0.4626
    O3    O     0.1222    0.2883    0.2295
    O4    O     0.1722    0.0363    0.0250
    O5    O     0.2081    0.4669    0.4096
    O6    O     0.2345    0.1550    0.3605
    O7    O     0.2340    0.3599    0.1221
    O8    O     0.0000    0.2632    0.2500
    OH    O     0.3523    0.2673    0.2918
    T1    Si    0.0673    0.1832    0.2896
    T2    Si    0.2398    0.0077    0.4621
    T3    Si    0.1999    0.3162    0.2858
    T4    Si    0.1161    0.0844    0.6006

