data_*-SSO

#**************************************************************************
#
# 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    19.90203
_cell_length_b    10.15609
_cell_length_c    24.68916
_cell_angle_alpha   90.00000
_cell_angle_beta   105.88000
_cell_angle_gamma   90.00000
_cell_volume ??
_symmetry_space_group_name_H-M 'P121/C1'
_symmetry_Int_Tables_number         14
_symmetry_cell_setting             monoclinic

loop_
  _symmetry_equiv_pos_as_xyz
X,Y,Z
-X,Y+1/2,-Z+1/2
-X,-Y,-Z
X,-Y+1/2,Z+1/2

loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
T1   Si   0.05851   0.14918   0.11129 
T2   Si   0.15103   0.09647   0.03285 
T3   Si   0.30388   0.14331   0.02836 
T4   Si   0.43383   0.02769   0.11439 
T5   Si   0.03548   0.40615   0.17302 
T6   Si   0.06078   0.65499   0.11042 
T7   Si   0.14541   0.60070   0.02680 
T8   Si   0.29858   0.65065   0.01896 
T9   Si   0.43355   0.72421   0.10343 
T10  Si   0.10162   0.39861   0.30261 
T11  Si   0.17404   0.15162   0.36453 
T12  Si   0.09451   0.15664   0.45902 
T13  Si   0.31230   0.11245   0.45857 
T14  Si   0.47277   0.14206   0.47471 
T15  Si   0.17085   0.63830   0.36411 
T16  Si   0.09267   0.64608   0.46080 
T17  Si   0.31157   0.59403   0.44970 
T18  Si   0.47032   0.61015   0.45283 
T19  Si   0.11354   0.90103   0.30829 
T20  Si   0.04655   0.90367   0.17848 
O1   O    0.06557   0.05120   0.16385 
O2   O    0.01070   0.61232   0.43785 
O3   O    0.05219   0.29920   0.13034 
O4   O    0.12594   0.13313   0.08772 
O5   O    0.12749   0.94821   0.01344 
O6   O    0.11553   0.30280   0.48287 
O7   O    0.23476   0.10741   0.04721 
O8   O    0.37174   0.12331   0.08098 
O9   O    0.29938   0.29410   0.00744 
O10  O    0.30985   0.45117   0.47753 
O11  O    0.44088   0.03468   0.18085 
O12  O    0.49384   0.57356   0.39719 
O13  O    0.41734   0.87871   0.09251 
O14  O    0.07615   0.36488   0.23647 
O15  O    0.04719   0.91166   0.33348 
O16  O    0.06129   0.54941   0.15918 
O17  O    0.12573   0.62592   0.08503 
O18  O    0.06787   0.80168   0.13607 
O19  O    0.01075   0.14269   0.43928 
O20  O    0.12666   0.45101   0.00695 
O21  O    0.10221   0.79811   0.47988 
O22  O    0.22777   0.62552   0.03690 
O23  O    0.30669   0.95996   0.47451 
O24  O    0.36397   0.64161   0.07428 
O25  O    0.29675   0.79458   0.99135 
O26  O    0.49481   0.67969   0.07624 
O27  O    0.45689   0.69558   0.17010 
O28  O    0.15947   0.29319   0.33430 
O29  O    0.13644   0.54292   0.31173 
O30  O    0.03624   0.39366   0.32912 
O31  O    0.12473   0.13155   0.40576 
O32  O    0.15573   0.03830   0.31711 
O33  O    0.25485   0.14260   0.39992 
O34  O    0.38893   0.14081   0.45129 
O35  O    0.50000   0.00000   0.50000 
O36  O    0.49625   0.25057   0.02424 
O37  O    0.16511   0.78804   0.34194 
O38  O    0.25177   0.60053   0.39068 
O39  O    0.12958   0.62091   0.41132 
O40  O    0.38655   0.61788   0.43843 
O41  O    0.50000   0.50000   0.50000 
O42  O    0.08818   0.86656   0.24221 
