#*********************************************************************************
#
# Crystallographic Information File for PST-35, as-made
#
# Reference :
# Kemp, K. C., Choi, W., Jo, D., Park, S. H., Hong, S. B.
# Chem. Sci., 13, 10455-10460 , (2022)
#
#
# 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_PST-35_as-made
_chemical_name_systematic 'PST-35, as-made'

_cell_length_a 21.573
_cell_length_b 22.578
_cell_length_c 12.562
_cell_angle_alpha 90
_cell_angle_beta 124.63
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'C 1 2/m 1'
_symmetry_space_group_name_H-M 'C 1 2/m 1'
_symmetry_space_group_name_Hall '-C 2y'
_space_group.IT_number 12

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
F1 F 0.2885 0.5 0.8676 13.4 1
N1 N 0.1028 0.546 0.325 13.2 0.721
C1 C 0.1235 0.6074 0.331 14.1 0.721
H1A H 0.1733 0.6095 0.3484 17 0.721
H1B H 0.1254 0.6268 0.402 17 0.721
C2 C 0.0676 0.6396 0.206 14.3 0.721
H2A H 0.0829 0.6801 0.2125 21.4 0.721
H2B H 0.0662 0.6208 0.1357 21.4 0.721
H2C H 0.0184 0.6381 0.1892 21.4 0.721
C3 C 0.138 0.5 0.303 15.1 0.721
C4 C 0.1862 0.5 0.254 16.2 0.721
H4A H 0.1747 0.5347 0.2002 19.4 0.36
H4B H 0.1747 0.4653 0.2002 19.4 0.36
C5 C 0.271 0.5 0.364 18.5 0.721
H5A H 0.3001 0.5 0.3284 27.7 0.721
H5B H 0.2828 0.5347 0.4168 27.7 0.36
H5C H 0.2828 0.4653 0.4168 27.7 0.36
C6 C 0.0526 0.5323 0.3598 12.4 0.721
H6 H 0.0261 0.558 0.3779 14.9 0.721
N2 N 0.512 0.4591 0.567 12 0.349
C7 C 0.534 0.3978 0.573 12.8 0.349
H7A H 0.5413 0.3788 0.6491 15.3 0.349
H7B H 0.5809 0.396 0.5801 15.3 0.349
C8 C 0.472 0.3655 0.451 7.82 0.349
H8A H 0.4861 0.3249 0.4541 11.7 0.349
H8B H 0.4255 0.3671 0.4449 11.7 0.349
H8C H 0.465 0.3842 0.376 11.7 0.349
C9 C 0.458 0.5 0.469 10.8 0.349
C10 C 0.424 0.5 0.542 11.6 0.349
H10A H 0.4369 0.5352 0.5951 13.9 0.175
H10B H 0.4369 0.4648 0.5951 13.9 0.175
C11 C 0.341 0.5 0.426 17.4 0.349
H11A H 0.3091 0.5 0.4562 25.5 0.349
H11B H 0.3312 0.5347 0.3743 25.5 0.175
H11C H 0.3312 0.4653 0.3743 25.5 0.175
C12 C 0.468 0.4675 0.619 12.2 0.349
H12 H 0.4464 0.4404 0.6443 14.7 0.349
O1 O 0.3706 0.5929 0.8748 7.74 1
O2 O 0.221 0.5765 0.6683 7.74 1
O3 O 0.2061 0.5911 0.8734 8.05 1
O4 O 0.3555 0.5757 1.0793 7.66 1
O5 O 0.3225 0.6126 0.6301 7.34 1
O6 O 0.4204 0.6993 0.7472 8.45 1
O7 O 0.5 0.7025 1 7.5 1
O8 O 0.4839 0.6121 1.117 6.95 1
O9 O 0.0942 0.6133 0.6342 7.03 1
O10 O 0.0877 0.7068 0.7493 8.21 1
O11 O 0.332 0.7953 0.9959 7.26 1
O12 O 0.2522 0.6103 1.1154 7.19 1
O13 O 0.4365 0.718 1.1219 7.9 1
O14 O 0.1311 0.5 0.6977 7.19 1
O15 O 0.3296 0.5 0.6989 7.58 1
O16 O 0.2783 0.7172 0.653 8.37 1
O17 O 0.3227 0.7026 0.4979 8.13 1
O18 O 0.2605 0.6986 0.2567 8.29 1
O19 O 0.2492 0.5 1.0488 7.74 1
O20 O 0.4439 0.5 1.0478 7.5 1
O21 O 0.1439 0.7172 0.6113 8.37 1
O22 O 0.314 0.7098 1.1136 7.9 1
O23 O 0 0.6998 0.5 8.76 1
Ge1 Ge 0.4101 0.5673 1.0249 6.89 0.405
Si1 Si 0.4101 0.5673 1.0249 6.89 0.595
Ge2 Ge 0.3103 0.5668 0.724 7.28 0.47
Si2 Si 0.3103 0.5668 0.724 7.28 0.53
Ge3 Ge 0.1684 0.5669 0.725 7.12 0.382
Si3 Si 0.1684 0.5669 0.725 7.12 0.618
Ge4 Ge 0.2664 0.5669 1.0244 7.03 0.352
Si4 Si 0.2664 0.5669 1.0244 7.03 0.648
Si5 Si 0.33496 0.68263 0.6319 6.3 1
Si7 Si 0.50049 0.68166 1.1224 5.98 1
Si8 Si 0.0831 0.68368 0.6248 6.38 1
Si9 Si 0.37354 0.7541 1.1214 6.75 1
Si10 Si 0.24879 0.68121 0.1223 6.55 1
Si11 Si 0.29108 0.74346 0.3746 6.19 1
# End of data for PST-35_as-made