data_AFN

#**************************************************************************
#
# 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                  14.0200(0)
_cell_length_b                  13.4660(0)
_cell_length_c                  10.2020(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta               107.2390(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     0.8183    0.8419    0.3262
    O2    O     0.7644    0.6824    0.1755
    O3    O     0.6257    0.7886    0.2325
    O4    O     0.7189    0.8605    0.0664
    O5    O     0.4412    0.8552    0.1487
    O6    O     0.3105    0.0000    0.1225
    O7    O     0.5000    0.3574    0.5000
    O8    O     0.5725    0.5000    0.6776
    O9    O     0.5241    0.3281    0.7623
   O10    O     0.5000    0.2759    0.0000
    T1    Si    0.5113    0.2407    0.1549
    T2    Si    0.7318    0.7936    0.2014
    T3    Si    0.3246    0.8840    0.0951
    T4    Si    0.5696    0.3818    0.6529

