data_SFG

#**************************************************************************
#
# 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                  25.5320(0)
_cell_length_b                  12.5750(0)
_cell_length_c                  13.0660(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     'P m m a'
_symmetry_Int_Tables_number         51
_symmetry_cell_setting             orthorhombic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2-x,+y,+z'
'+x,-y,+z'
'1/2-x,-y,+z'
'-x,-y,-z'
'1/2+x,-y,-z'
'-x,+y,-z'
'1/2+x,+y,-z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
    O1    O     0.1603    0.1048    0.4309
    O2    O     0.0719    0.1905    0.3704
    O3    O     0.1579    0.3037    0.3707
    O4    O     0.1452    0.1466    0.2367
    O5    O     0.1982    0.2006    0.0751
    O6    O     0.1694    0.0000    0.1010
    O7    O     0.0989    0.1456    0.0570
    O8    O     0.0760    0.1892    0.8655
    O9    O     0.0247    0.1715    0.6921
   O10    O     0.1217    0.1047    0.7027
   O11    O     0.1016    0.3090    0.7082
   O12    O     0.1416    0.5000    0.6868
   O13    O     0.1729    0.3435    0.5674
   O14    O     0.1986    0.3441    0.7630
   O15    O     0.1912    0.0000    0.5923
   O16    O     0.2500    0.0000    0.4277
   O17    O     0.1981    0.0000    0.7913
   O18    O     0.0000    0.1299    0.5000
   O19    O     0.0298    0.0000    0.3531
   O20    O     0.2500    0.3640    0.4352
   O21    O     0.1718    0.5000    0.4341
   O22    O     0.2500    0.3128    0.9360
   O23    O     0.2500    0.1046    0.9313
   O24    O     0.0000    0.1623    0.0000
   O25    O     0.0564    0.0000    0.9386
   O26    O     0.2500    0.5000    0.8510
    T1    Si    0.1341    0.1869    0.3514
    T2    Si    0.1529    0.1226    0.1167
    T3    Si    0.0811    0.1933    0.7427
    T4    Si    0.1540    0.3747    0.6810
    T5    Si    0.1906    0.0000    0.4691
    T6    Si    0.1577    0.0000    0.6967
    T7    Si    0.0189    0.1222    0.3830
    T8    Si    0.1880    0.3777    0.4524
    T9    Si    0.2500    0.2069    0.0052
   T10    Si    0.2500    0.0000    0.8608
   T11    Si    0.0577    0.1247    0.9659
   T12    Si    0.2500    0.3744    0.8280

