data_APD

#**************************************************************************
#
# 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                   8.7240(0)
_cell_length_b                  20.0600(0)
_cell_length_c                  10.1660(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 m c a'
_symmetry_Int_Tables_number         64
_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,1/2-y,1/2+z'
'1/2+x,-y,1/2+z'
'-x,1/2-y,1/2+z'
'1/2-x,-y,1/2+z'
'-x,-y,-z'
'1/2-x,1/2-y,-z'
'+x,-y,-z'
'1/2+x,1/2-y,-z'
'-x,1/2+y,1/2-z'
'1/2-x,+y,1/2-z'
'+x,1/2+y,1/2-z'
'1/2+x,+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     0.2137    0.0000    0.0000
    O2    O     0.0000    0.0673    0.8742
    O3    O     0.2500    0.0302    0.7500
    O4    O     0.2634    0.1240    0.9299
    O5    O     0.5000    0.2027    0.8906
    O6    O     0.2500    0.2180    0.7500
    O7    O     0.2500    0.2500    0.0000
    T1    Si    0.1815    0.0552    0.8886
    T2    Si    0.3160    0.1986    0.8927

