data_CFI

#**************************************************************************
#
# 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                  13.9610(0)
_cell_length_b                   5.2640(0)
_cell_length_c                  25.9670(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     'I m m a'
_symmetry_Int_Tables_number         74
_symmetry_cell_setting             orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2+x,1/2+y,1/2+z'
'-x,+y,+z'
'1/2-x,1/2+y,1/2+z'
'+x,1/2-y,+z'
'1/2+x,-y,1/2+z'
'-x,1/2-y,+z'
'1/2-x,-y,1/2+z'
'-x,-y,-z'
'1/2-x,1/2-y,1/2-z'
'+x,-y,-z'
'1/2+x,1/2-y,1/2-z'
'-x,1/2+y,-z'
'1/2-x,+y,1/2-z'
'+x,1/2+y,-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
    O6    O     0.0000    0.2500    0.0571
    O7    O     0.0940    0.2500    0.1679
    O8    O     0.0000    0.5001    0.2389
    O9    O     0.1233    0.0000    0.0000
   O10    O     0.1851    0.2500    0.0806
   O11    O     0.2500    0.7500    0.2500
   O12    O     0.0950    0.7500    0.3093
   O13    O     0.2542    0.5006    0.1613
    T1    Si    0.1076    0.2500    0.0346
    T2    Si    0.0000    0.7500    0.2743
    T3    Si    0.2896    0.7500    0.1919
    T4    Si    0.0000    0.2500    0.2035
    T5    Si    0.1987    0.2500    0.1421

