data_MFS

#**************************************************************************
#
# 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                   7.5430(0)
_cell_length_b                  14.3880(0)
_cell_length_c                  19.0160(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 2'
_symmetry_Int_Tables_number         44
_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,-y,+z'
'1/2+x,1/2-y,1/2+z'
'-x,-y,+z'
'1/2-x,1/2-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     0.3258    0.2230    0.2521
    O2    O     0.2506    0.2668    0.1212
    O3    O     0.0000    0.2057    0.2054
    O4    O     0.2489    0.0915    0.1619
    O5    O     0.2510    0.5914    0.0332
    O6    O     0.1744    0.7591    0.9877
    O7    O     0.5000    0.7187    0.0253
    O8    O     0.0000    0.0913    0.9489
    O9    O     0.0000    0.2383    0.8679
   O10    O     0.0000    0.5911    0.8191
   O11    O     0.5000    0.0000    0.0953
   O12    O     0.1746    0.0000    0.0463
   O13    O     0.5000    0.5000    0.9657
   O14    O     0.1742    0.5000    0.9172
    T1    Si    0.2063    0.1968    0.1848
    T2    Si    0.2937    0.7004    0.0421
    T3    Si    0.0000    0.2032    0.9482
    T4    Si    0.0000    0.6993    0.7977
    T5    Si    0.2935    0.0000    0.1166
    T6    Si    0.2936    0.5000    0.9873
    T7    Si    0.0000    0.5000    0.8683
    T8    Si    0.0000    0.0000    0.9978

