data_JNT

#**************************************************************************
#
# 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     8.20650
_cell_length_b    14.13640
_cell_length_c    15.40456
_cell_angle_alpha   90.00000
_cell_angle_beta   119.27000
_cell_angle_gamma   90.00000

_symmetry_space_group_name_H-M 		'P21/c'
_symmetry_Int_Tables_number         14
_symmetry_cell_setting             	monoclinic

loop_
  _symmetry_equiv_pos_as_xyz
X,Y,Z
-X,Y+1/2,-Z+1/2
-X,-Y,-Z
X,-Y+1/2,Z+1/2

loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
T1   Si   0.84377   0.67558   0.24037 
T2   Si   0.21266   0.69489   0.61103 
T3   Si   0.69818   0.94755   0.31065 
T4   Si   0.58055   0.62826   0.42072 
T5   Si   0.85437   0.77365   0.41923 
T6   Si   0.58573   0.82846   0.11771 
T7   Si   0.21896   0.64466   0.23670 
T8   Si   0.70514   0.49581   0.30589 
O1   O    0.16707   0.59720   0.64882 
O2   O    0.36308   0.67368   0.57491 
O3   O    0.02380   0.74200   0.52535 
O4   O    0.35621   0.62722   0.35370 
O5   O    0.30229   0.76934   0.70178 
O6   O    0.66430   0.72200   0.14709 
O7   O    0.80314   0.57200   0.26862 
O8   O    0.81759   0.88611   0.41018 
O9   O    0.66475   0.53950   0.39012 
O10  O    0.63386   0.62831   0.53611 
O11  O    0.66292   0.72286   0.39826 
O12  O    0.68719   0.89321   0.21610 
O13  O    0.01176   0.67117   0.21487 
O14  O    0.79392   0.04981   0.32414 
O15  O    0.48751   0.96329   0.28952 
O16  O    0.90726   0.74393   0.33514 
