data_AFV

#**************************************************************************
#
# 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                  13.2261(0)
_cell_length_b                  13.2261(0)
_cell_length_c                  12.5838(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 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
    T1    Si     0.4349    0.1001    0.1750
    T2    Si     0.4362    0.0998    0.4150
    T3    Si     0.0000    0.2377    0.0000
    O1    O      0.4722    0.2361    0.1719
    O2    O      0.3220    0.0266    0.1011
    O3    O      0.5426    0.0852    0.1354
    O4    O      0.4024    0.0524    0.2951
    O5    O      0.5725    0.1450    0.4352
    O6    O      0.3587    0.0000    0.5000
    O7    O      0.4106    0.2053    0.4327
    O8    O      0.8883    0.1117    0.9757

