data_ITN

#**************************************************************************
#
# 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    24.2005
_cell_length_b    12.5399
_cell_length_c    14.2502
_cell_angle_alpha   72.599
_cell_angle_beta   123.128
_cell_angle_gamma   90.00

_symmetry_space_group_name_H-M 		'P -1'
_symmetry_Int_Tables_number         2
_symmetry_cell_setting             	triclinic

loop_
  _symmetry_equiv_pos_as_xyz
X,Y,Z
-X,-Y,-Z

loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
T1   Si  0.05179   0.48234   0.91511 
T2   Si  0.07258   0.70899   0.79527 
T3   Si  0.05733   0.85943   0.91674 
T4   Si  0.15670   0.81073   0.70182 
T5   Si  0.07690   0.89810   0.42328 
T6   Si  0.16828   0.85774   0.34649 
T7   Si  0.10153   0.72914   0.17864 
T8   Si  0.09116   0.10940   0.16780 
T9   Si  0.31108   0.85323   0.56472 
T10  Si  0.30251   0.71347   0.78004 
T11  Si  0.39421   0.47891   0.91981 
T12  Si  0.49287   0.50757   0.83426 
T13  Si  0.45775   0.75419   0.66662 
T14  Si  0.49044   0.89125   0.83310 
T15  Si  0.39214   0.86637   0.90875 
T16  Si  0.47586   0.88681   0.47318 
T17  Si  0.45639   0.13865   0.65411 
T18  Si  0.48678   0.26845   0.82588 
T19  Si  0.38987   0.24291   0.90373 
T20  Si  0.29803   0.10165   0.77347 
T21  Si  0.31039   0.10906   0.56289 
T22  Si  0.16553   0.24310   0.33869 
T23  Si  0.09973   0.48917   0.16751 
T24  Si  0.07315   0.14459   0.41455 
T25  Si  0.15287   0.05735   0.69252 
T26  Si  0.06908   0.09844   0.78540 
T27  Si  0.04591   0.24206   0.90486 
O1   O   0.07263   0.35707   0.92175 
O2   O   0.07250   0.57489   0.83972 
O3   O   0.00058   0.77428   0.67210 
O4   O   0.08608   0.75961   0.89576 
O5   O   0.08104   0.97465   0.87782 
O6   O   0.13104   0.72591   0.77318 
O7   O   0.17104   0.92004   0.74264 
O8   O   0.22511   0.74569   0.73294 
O9   O   0.09939   0.85190   0.55992 
O10  O   0.00434   0.87057   0.33859 
O11  O   0.13213   0.83719   0.41563 
O12  O   0.16005   0.75958   0.29081 
O13  O   0.08502   0.82171   0.05585 
O14  O   0.03519   0.73136   0.17922 
O15  O   0.12528   0.60347   0.18977 
O16  O   0.13276   0.97973   0.23891 
O17  O   0.07184   0.14826   0.03337 
O18  O   0.02374   0.11752   0.16456 
O19  O   0.13671   0.19115   0.23369 
O20  O   0.24679   0.85725   0.43681 
O21  O   0.31033   0.97727   0.57537 
O22  O   0.37877   0.81206   0.57793 
O23  O   0.30901   0.76198   0.66915 
O24  O   0.34995   0.76744   0.87998 
O25  O   0.32681   0.57668   0.83769 
O26  O   0.37424   0.35587   0.92370 
O27  O   0.43700   0.50174   0.86299 
O28  O   0.50488   0.39341   0.81252 
O29  O   0.56233   0.51857   0.94629 
O30  O   0.46746   0.61737   0.71605 
O31  O   0.49311   0.79797   0.77808 
O32  O   0.55586   0.85508   0.96913 
O33  O   0.42348   0.89731   0.83151 
O34  O   0.34179   0.97775   0.87295 
O35  O   0.49145   0.79108   0.59376 
O36  O   0.39606   0.91647   0.37090 
O37  O   0.50000   0.00000   0.50000 
O39  O   0.48478   0.16087   0.57224 
O40  O   0.37646   0.14476   0.57126 
O41  O   0.49196   0.01363   0.75649 
O42  O   0.47231   0.23381   0.71548 
O43  O   0.54809   0.17610   0.95049 
O44  O   0.41965   0.27200   0.82398 
O45  O   0.32160   0.19659   0.83529 
O46  O   0.21912   0.10632   0.71656 
O47  O   0.31008   0.12923   0.66896 
O48  O   0.24474   0.18938   0.43561 
O49  O   0.15436   0.37958   0.28127 
O50  O   0.02837   0.48757   0.15061 
O51  O   0.09140   0.48486   0.04877 
O52  O   0.12655   0.21322   0.40253 
O53  O   0.07155   0.03412   0.37835 
O54  O   0.09499   0.10387   0.55069 
O55  O   0.12619   0.09926   0.75981 
O56  O   0.07463   0.19310   0.84397 
