data_SOV

#**************************************************************************
#
# 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    24.63082
_cell_length_b    26.65129
_cell_length_c    12.72673
_cell_angle_alpha   90.00000
_cell_angle_beta    90.00000
_cell_angle_gamma   90.00000

_symmetry_space_group_name_H-M 'C m m m'
_symmetry_Int_Tables_number         65
_symmetry_cell_setting             orthorhombic

loop_
  _symmetry_equiv_pos_as_xyz
X,Y,Z
-X,-Y,Z
X,-Y,-Z
-X,Y,-Z
-X,-Y,-Z
X,Y,-Z
-X,Y,Z
X,-Y,Z
X+1/2,Y+1/2,Z
-X+1/2,-Y+1/2,Z
X+1/2,-Y+1/2,-Z
-X+1/2,Y+1/2,-Z
-X+1/2,-Y+1/2,-Z
X+1/2,Y+1/2,-Z
-X+1/2,Y+1/2,Z
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
Si1    Si    0.13103   0.09288   0.30610 
Si2    Si    0.20116   0.05820   0.11889 
Si3    Si    0.06141   0.18336   0.37757 
Si4    Si    0.06139   0.29793   0.37746 
Si5    Si    0.11102   0.39470   0.30569 
Si6    Si    0.17535   0.44220   0.12111 
Si7    Si    0.19704   0.05727   0.50000 
Si8    Si    0.17234   0.44273   0.50000 
Si9    Si    0.06523   0.00000   0.38002 
Si10   Si    0.00000   0.43979   0.38201 
O1     O     0.23728   0.43590   0.15953 
O2     O     0.15731   0.50000   0.13261 
O3     O     0.17042   0.42535   0.00000 
O4     O     0.13637   0.40764   0.19231 
O5     O     0.10165   0.14670   0.31406 
O6     O     0.16036   0.08920   0.19331 
O7     O     0.17585   0.08651   0.39715 
O8     O     0.08647   0.04916   0.31901 
O9     O     0.19680   0.07855   0.00000 
O10    O     0.18381   0.00000   0.12135 
O11    O     0.00000   0.00000   0.37862 
O12    O     0.08604   0.00000   0.50000 
O13    O     0.10144   0.33505   0.31452 
O14    O     0.15133   0.41374   0.39679 
O15    O     0.05327   0.42225   0.31875 
O16    O     0.06331   0.31269   0.50000 
O17    O     0.08065   0.24065   0.36263 
O18    O     0.00000   0.30408   0.33566 
O19    O     0.00000   0.17713   0.33596 
O20    O     0.06361   0.16846   0.50000 
O21    O     0.23765   0.44228   0.50000 
O22    O     0.15145   0.50000   0.50000 
O23    O     0.17615   0.00000   0.50000 
O24    O     0.00000   0.41781   0.50000 
O25    O     0.00000   0.50000   0.38858 
