#*********************************************************************************
#
# Crystallographic Information File for SYSU-3, as-made
#
# Reference :
# Zhang, C., Kapaca, E., Li, J., Liu, Y., Yi, X., Zheng, A., Zou, X., Jiang, J., and Yu, J.
# Angew. Chem. Int. Ed., 57, 6480-6485, (2018)
#
#
# 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_SYSU-3_as-made
_chemical_name_systematic 'SYSU-3, as-made'

_cell_length_a 27.5504
_cell_length_b 27.5504
_cell_length_c 14.112
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'I 4/m c m'
_symmetry_space_group_name_H-M 'I 4/m c m'
_symmetry_space_group_name_Hall '-I 4 2c'
_space_group.IT_number 140

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 0.13503 0.1793 0.15591 1.06245 0.6040856
Ge1 Ge 0.13503 0.1793 0.15591 2.0635 0.3959144
Si2 Si 0.03205 0.22565 0.15688 1.06245 0.5082475
Ge2 Ge 0.03205 0.22565 0.15688 2.0635 0.4917525
Si3 Si 0.104 0.10465 0 1.06245 0.6261857
Ge3 Ge 0.104 0.10465 0 2.0635 0.3738143
Si4 Si 0.16706 0.25402 0 1.06245 0.7010316
Ge4 Ge 0.16706 0.25402 0 2.0635 0.2989684
Si5 Si 0.00101 0.14783 0 1.06245 0.3690995
Ge5 Ge 0.00101 0.14783 0 2.0635 0.6309005
Si6 Si 0.06557 0.30111 0 1.06245 0.2733649
Ge6 Ge 0.06557 0.30111 0 2.0635 0.7266351
O1 O 0.12691 0.12961 0.09519 3.56652 1
O2 O 0 0.241 0.25 3.56652 1
O3 O 1.0026 0.18314 0.09614 3.56652 1
O4 O 0.042 0.27577 0.09741 3.56652 1
O5 O 0.16558 0.21954 0.09468 3.56652 1
O6 O 0.08324 0.20206 0.18978 3.56652 1
O7 O 0.21856 0.28144 0 3.56652 1
O8 O 0.04596 0.10922 0 3.56652 1
O9 O 0.11571 0.04848 0 3.56652 1
O10 O 0.16607 0.16607 0.25 3.56652 1
O11 O 0.12545 0.29591 0 3.56652 1
O12 O 0.05066 0.35829 0 3.56652 1
F1 F 0.42681 0.6987 0 4.85106 0.75
F2 F 0.5 0.5 0.79897 4.85106 0.5
N1 N 0.38217 0.93737 0.7157 4.99902 0.25
N2 N 0.33762 0.828 0.5277 4.99902 0.25
C1 C 0.41124 0.93782 0.807 4.99902 0.375
C2 C 0.36391 0.98936 0.7059 4.99902 0.3325
C3 C 0.40513 1.02772 0.7002 4.99902 0.3325
C4 C 0.44611 1.01442 0.6308 4.99902 0.3325
C5 C 0.43271 0.9708 0.5737 4.99902 0.3325
C6 C 0.41647 0.92556 0.6298 4.99902 0.29
C7 C 0.34336 0.90177 0.7402 4.99902 0.3325
C8 C 0.34996 0.85504 0.6956 4.99902 0.29
C9 C 0.35215 0.86898 0.5933 4.99902 0.29
C10 C 0.40517 0.88049 0.5767 4.99902 0.29
C11 C 0.43584 0.83761 0.602 4.99902 0.3325
C12 C 0.42006 0.79257 0.5483 4.99902 0.3325
C13 C 0.36556 0.78359 0.5519 4.99902 0.3325
C14 C 0.29182 0.80503 0.565 4.99902 0.3325
C15 C 0.30192 0.78572 0.6584 4.99902 0.3325
C16 C 0.30771 0.82619 0.7215 4.99902 0.3325
C17 C 0.32983 0.83911 0.4179 4.99902 0.375
# End of data for SYSU-3_as-made