#*********************************************************************************
#
# 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, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://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_