data_GOO

#**************************************************************************
#
# 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                   8.7480(0)
_cell_length_b                  11.0390(0)
_cell_length_c                  17.4750(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     'C 2 2 21'
_symmetry_Int_Tables_number         20
_symmetry_cell_setting             orthorhombic

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,1/2-z'
'1/2-x,1/2+y,1/2-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     0.7172    0.9940    0.8431
    O2    O     0.8382    0.0543    0.7080
    O3    O     0.6420    0.1945    0.7754
    O4    O     0.9181    0.1741    0.8320
    O5    O     0.8607    0.1012    0.0391
    O6    O     0.6926    0.2419    0.1301
    O7    O     0.9518    0.1407    0.1782
    O8    O     0.5759    0.4371    0.0635
    T1    Si    0.7811    0.1023    0.7903
    T2    Si    0.8023    0.1253    0.1252
    T3    Si    0.5893    0.3612    0.1420
    T4    Si    0.5000    0.2770    0.7500
    T5    Si    0.9685    0.0000    0.0000

