data_CGF

#**************************************************************************
#
# 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                  15.5010(0)
_cell_length_b                  16.9020(0)
_cell_length_c                   7.2730(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                96.0700(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     0.0449    0.7411    0.3570
    O2    O     0.5727    0.3515    0.6110
    O3    O     0.2817    0.6051    0.1917
    O4    O     0.2838    0.6326    0.5481
    O5    O     0.3013    0.7503    0.3179
    O6    O     0.6545    0.2989    0.1408
    O7    O     0.1176    0.6472    0.1286
    O8    O     0.0000    0.7516    0.0000
    O9    O     0.2064    0.6118    0.8508
   O10    O     0.1634    0.5000    0.0753
    T1    Si    0.8077    0.4089    0.9383
    T2    Si    0.0791    0.7344    0.1561
    T3    Si    0.3233    0.6587    0.3612
    T4    Si    0.2585    0.6735    0.7351
    T5    Si    0.0000    0.7964    0.5000

