data_JZT

#**************************************************************************
#
# CIF taken from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D. H. Brouwer 
# 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                  21.446800
_cell_length_b                  21.349800
_cell_length_c                  14.528500
_cell_angle_alpha               90.000000
_cell_angle_beta               108.870000
_cell_angle_gamma               90.000000

_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number     15
_symmetry_cell_setting          monoclinic


loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'-x,+y,1/2-z'
'-x,-y,-z'
'+x,-y,1/2+z'
'1/2+x,1/2+y,+z'
'1/2-x,1/2+y,1/2-z'
'1/2-x,1/2-y,-z'
'1/2+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   0.41035  0.47769  0.13452
Si2  Si   0.26545  0.32625  0.14874
Si4  Si   0.1679  0.03558  0.08949
Si5  Si   0.15568  0.23793  0.07703
Si7  Si   0.06968  0.13854  0.10813
Si8  Si   0.49074  0.37512  0.38367
Si9  Si   0.34639  0.42524  0.28034
Si10  Si   0.25599  0.13232  0.05551
Si11  Si   0.36568  0.22088  0.12728
Si3  Si   0.5  0.26386  0.25
Si6  Si   0.0  0.08674  0.25
O1  O   0.20287  0.28622  0.15347
O2  O   0.10076  0.20791  0.11751
O3  O   0.23698  0.06509  0.08905
O4  O   0.37418  0.48529  0.01931
O5  O   0.29382  0.36916  0.24438
O6  O   0.35777  0.45796  0.1872
O7  O   0.2424  0.37104  0.05445
O8  O   0.032  0.13048  0.18688
O9  O   0.43526  0.22036  0.21377
O10  O   0.31837  0.47575  0.33932
O11  O   0.12767  0.08738  0.12798
O12  O   0.46665  0.42481  0.15426
O13  O   0.01828  0.12874  0.00052
O14  O   0.05643  0.04347  0.32171
O15  O   0.32598  0.15676  0.12688
O16  O   0.37923  0.227  0.02481
O17  O   0.49598  0.30724  0.33851
O18  O   0.32238  0.27962  0.14062
O19  O   0.19984  0.18169  0.0578
O20  O   0.41492  0.39711  0.35037

