data_SVV

#**************************************************************************
#
# 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    13.12310
_cell_length_b    13.37340
_cell_length_c    21.26198
_cell_angle_alpha   90.00000
_cell_angle_beta   123.64200
_cell_angle_gamma   90.00000

_symmetry_space_group_name_H-M 'C12/m1'
_symmetry_Int_Tables_number         12
_symmetry_cell_setting             monoclinic

loop_
  _symmetry_equiv_pos_as_xyz
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

loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
T1   Si   0.44602   0.27800   0.04824 
T2   Si   0.29726   0.11716   0.07319 
T3   Si   0.10796   0.11497   0.20474 
T4   Si   0.36084   0.11342   0.23562 
T5   Si   0.09048   0.24628   0.31780 
T6   Si   0.31696   0.38493   0.39748 
T7   Si   0.07549   0.11507   0.43125 
O1   O    0.55350   0.33121   0.12448 
O2   O    0.50000   0.24188   0.00000 
O3   O    0.33673   0.35659   0.99941 
O4   O    0.39740   0.18190   0.06969 
O5   O    0.30489   0.14517   0.14935 
O6   O    0.32515   0.00000   0.07319 
O7   O    0.25516   0.11991   0.25217 
O8   O    0.06441   0.00000   0.19119 
O9   O    0.05940   0.17093   0.25033 
O10  O    0.47206   0.18634   0.29248 
O11  O    0.40985   0.00000   0.24842 
O12  O    0.12618   0.18303   0.39177 
O13  O    0.20340   0.31680   0.33647 
O14  O    0.28954   0.50000   0.37088 
O15  O    0.33471   0.37411   0.47840 
O16  O    0.43979   0.34929   0.40412 
O17  O    0.07135   0.00000   0.40769 
