#*********************************************************************************
#
# Crystallographic Information File for PUK-16  
#
# Reference : 
#   Hua, W., Chen, H., Yu, Z.-B., Zou, X., Lin, J. and Sun, J.
#   Angew. Chem. Int. Ed., 53, 5868-5871, (2014)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher and L.B. McCusker,
# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 
#
#**********************************************************************************


data_PUK-16_
_chemical_name_systematic 'PUK-16 '

_cell_length_a      19.0592
_cell_length_b      19.0592
_cell_length_c      11.6968 
_cell_angle_alpha   90 
_cell_angle_beta    90 
_cell_angle_gamma   90
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'P 42/m n m'
_symmetry_space_group_name_H-M   'P 42/m n m'
_symmetry_space_group_name_Hall  '-P 4n 2n'
_space_group.IT_number  136 

 
 loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Si1  Si  0.0584  0.0584  0.1316  2.66  0.944
Ge1  Ge  0.0584  0.0584  0.1316  2.66  0.056
Si2  Si  0.1983  0.0162  0.2655  2.66  0.823
Ge2  Ge  0.1983  0.0162  0.2655  2.66  0.177
Si3  Si  0.1174  0.0003  0.5  2.66  0.854
Ge3  Ge  0.1174  0.0003  0.5  2.66  0.146
Si4  Si  0.2638  0.1464  0.3708  2.66  0.452
Ge4  Ge  0.2638  0.1464  0.3708  2.66  0.548
Si5  Si  0.3782  0.2633  0.3655  2.66  0.193
Ge5  Ge  0.3782  0.2633  0.3655  2.66  0.807
O1  O  0  0  0.1511  2.87  1
O2  O  0.0743  0.0743  0  2.87  1
O3  O  0.1316  0.0334  0.1856  2.87  1
O4  O  0.2446  -0.0494  0.2203  2.87  1
O5  O  0.1688  -0.0047  0.3901  2.87  1
O6  O  0.0679  -0.0679  0.5  2.87  1
O7  O  0.0718  0.0718  0.5  2.87  1
O8  O  0.2546  0.0797  0.278  2.87  1
O9  O  0.1848  0.1848  0.375  2.87  1
O10  O  0.2843  0.1137  0.5  2.87  1
O11  O  0.3224  0.2009  0.3133  2.87  1
O12  O  0.3468  0.3468  0.3496  2.87  1
O13  O  0.4064  0.2429  0.5  2.87  1
F  F  0.2612  0.2612  0.5  20  1
C1  C  0.6118  -0.1052  0.0591  19.96  0.5
C2  C  0.5972  -0.0326  0.064  19.96  0.583
C3  C  0.5348  -0.0089  0.1176  19.96  0.583
C4  C  0.502  -0.1285  0.1608  19.96  0.583
C5  C  0.564  -0.1535  0.1078  19.96  0.583
C6  C  0.6949  -0.207  0.0069  19.96  0.75
C7  C  0.7298  -0.0792  -0.0397  19.96  0.75
N1  N  0.4882  -0.0569  0.1651  19.96  0.5
N2  N  0.6772  -0.1308  0.0033  19.96  0.5

# End of data for PUK-16_