data_CON

#**************************************************************************
#
# 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                  22.6840(0)
_cell_length_b                  13.3730(0)
_cell_length_c                  12.5530(0)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                69.4790(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'C 2/m'
_symmetry_Int_Tables_number         12
_symmetry_cell_setting             monoclinic

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2+x,1/2+y,+z'
'-x,+y,-z'
'1/2-x,1/2+y,-z'
'-x,-y,-z'
'1/2-x,1/2-y,-z'
'+x,-y,+z'
'1/2+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     0.0000    0.1506    0.5000
    O2    O     0.0796    0.0000    0.4485
    O3    O     0.1196    0.1818    0.3823
    O4    O     0.0846    0.1341    0.5984
    O5    O     0.2219    0.1292    0.2129
    O6    O     0.1805    0.3139    0.2277
    O7    O     0.1177    0.1690    0.1745
    O8    O     0.1177    0.1867    0.7715
    O9    O     0.0002    0.1388    0.8051
   O10    O     0.0878    0.0000    0.7495
   O11    O     0.3070    0.0000    0.0941
   O12    O     0.2695    0.1444    0.9903
   O13    O     0.3393    0.1863    0.1132
   O14    O     0.2928    0.0000    0.8390
   O15    O     0.2016    0.1280    0.8592
   O16    O     0.0850    0.0000    0.1035
   O17    O     0.0857    0.1671    0.9928
    T1    Si    0.0709    0.1165    0.4825
    T2    Si    0.1598    0.1983    0.2496
    T3    Si    0.0725    0.1149    0.7310
    T4    Si    0.2845    0.1148    0.1026
    T5    Si    0.2708    0.1146    0.8653
    T6    Si    0.0719    0.1184    0.1166
    T7    Si    0.1415    0.1990    0.8776

