data_DAC

#**************************************************************************
#
# 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                  18.5740(0)
_cell_length_b                   7.5420(0)
_cell_length_c                  10.3770(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta               108.9170(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     0.1382    0.1743    0.7765
    O2    O     0.2500    0.2500    0.0000
    O3    O     0.2741    0.2492    0.7642
    O4    O     0.1905    0.5000    0.8204
    O5    O     0.1662    0.5000    0.3465
    O6    O     0.2500    0.2500    0.5000
    O7    O     0.1143    0.1742    0.3300
    O8    O     0.0096    0.0000    0.6777
    O9    O     0.1091    0.0000    0.5460
    T1    Si    0.2133    0.2935    0.8404
    T2    Si    0.1894    0.2938    0.3533
    T3    Si    0.0987    0.0000    0.6940
    T4    Si    0.0819    0.0000    0.3821

