data_AVL

#**************************************************************************
#
# 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                  13.2381(0)
_cell_length_b                  13.2381(0)
_cell_length_c                  17.4820(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                90.0000(0)
_cell_angle_gamma              120.0000(0)

_symmetry_space_group_name_H-M     'P -3 2/m 1'
_symmetry_Int_Tables_number         164
_symmetry_cell_setting             trigonal

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-y,+x-y,+z'
'-x+y,-x,+z'
'+y,+x,-z'
'+x-y,-y,-z'
'-x,-x+y,-z'
'-x,-y,-z'
'+y,-x+y,-z'
'+x-y,+x,-z'
'-y,-x,+z'
'-x+y,+y,+z'
'+x,+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      0.1155    0.2311    0.3959
    O2    O      0.9973    0.3317    0.3549
    O3    O      0.8877    0.1123    0.3967
    O4    O      0.0000    0.2767    0.5000
    O5    O      0.2374    0.4748    0.1183
    O6    O      0.0258    0.3215    0.0729
    O7    O      0.0822    0.5411    0.0980
    O8    O      0.0598    0.4033    0.2125
    O9    O      0.2173    0.4346    0.3163
   O10    O      0.1103    0.5551    0.3241
   O11    O      0.8883    0.1117    0.0170
    T1    Si     0.9998    0.2382    0.4127
    T2    Si     0.1013    0.4354    0.1249
    T3    Si     0.0957    0.4309    0.3011
    T4    Si     0.0000    0.2377    0.0000

