data_SFS

#**************************************************************************
#
# 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                  14.0130(0)
_cell_length_b                  20.0270(0)
_cell_length_c                  12.4880(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta               106.0800(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'P 21/m'
_symmetry_Int_Tables_number         11
_symmetry_cell_setting             monoclinic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-x,1/2+y,-z'
'-x,-y,-z'
'+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     0.4759    0.6411    0.6868
    O2    O     0.3565    0.1679    0.5031
    O3    O     0.4477    0.2500    0.6613
    O4    O     0.3234    0.1614    0.6993
    O5    O     0.1778    0.1440    0.3690
    O6    O     0.3029    0.0453    0.4410
    O7    O     0.3342    0.1316    0.2952
    O8    O     0.1566    0.1426    0.7520
    O9    O     0.3264    0.1461    0.9092
   O10    O     0.2856    0.0442    0.7732
   O11    O     0.4956    0.1217    0.6751
   O12    O     0.3236    0.5755    0.7134
   O13    O     0.4801    0.5090    0.6934
   O14    O     0.3650    0.5727    0.5205
   O15    O     0.4153    0.2500    0.2934
   O16    O     0.3943    0.1689    0.1225
   O17    O     0.3498    0.5448    0.3109
   O18    O     0.4161    0.5618    0.1362
   O19    O     0.4407    0.2500    0.9790
   O20    O     0.5179    0.1301    0.0090
   O21    O     0.1096    0.1715    0.5396
   O22    O     0.9714    0.1301    0.6292
   O23    O     0.0503    0.2500    0.6768
   O24    O     0.0663    0.2500    0.3641
   O25    O     0.9875    0.1302    0.3506
   O26    O     0.1560    0.5521    0.7613
   O27    O     0.3243    0.5535    0.9215
   O28    O     0.1882    0.5593    0.3787
   O29    O     0.5000    0.5000    0.0000
   O30    O     0.9846    0.5004    0.6527
   O31    O     0.1038    0.5510    0.5423
    T1    Si    0.0841    0.5602    0.4099
    T2    Si    0.2929    0.1223    0.4024
    T3    Si    0.2727    0.1236    0.7832
    T4    Si    0.4117    0.5738    0.6536
    T5    Si    0.4169    0.1732    0.2558
    T6    Si    0.4482    0.5547    0.2699
    T7    Si    0.4203    0.1734    0.0050
    T8    Si    0.0714    0.1736    0.6499
    T9    Si    0.0852    0.1738    0.4059
   T10    Si    0.2726    0.5342    0.7935
   T11    Si    0.3012    0.5330    0.4120
   T12    Si    0.4304    0.5615    0.0127
   T13    Si    0.0639    0.5582    0.6509
   T14    Si    0.4067    0.1748    0.6353

