data_ATT

#**************************************************************************
#
# 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                   9.9800(0)
_cell_length_b                   7.5140(0)
_cell_length_c                   9.3690(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 a'
_symmetry_Int_Tables_number         51
_symmetry_cell_setting             orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2-x,+y,+z'
'+x,-y,+z'
'1/2-x,-y,+z'
'-x,-y,-z'
'1/2+x,-y,-z'
'-x,+y,-z'
'1/2+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     0.0665    0.3251    0.2322
    O2    O     0.2500    0.2281    0.4180
    O3    O     0.0658    0.0000    0.3355
    O4    O     0.0000    0.2696    0.5000
    O5    O     0.0000    0.5000    0.0000
    O6    O     0.2500    0.5000    0.0879
    T1    Si    0.0957    0.2057    0.3715
    T2    Si    0.0957    0.5000    0.1380

