#*********************************************************************************
#
# Crystallographic Information File for SU-16
#
# Reference :
# Li, Y. and Zou, X.
# Angew. Chem. Int. Ed., 44, 2012-2015, (2005)
#
#
# 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_SU-16
_chemical_name_systematic 'SU-16'
_cell_length_a 6.936
_cell_length_b 10.493
_cell_length_c 20.448
_cell_angle_alpha 90
_cell_angle_beta 90.09
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P 1 21/c 1'
_symmetry_space_group_name_H-M 'P 1 21/c 1'
_symmetry_space_group_name_Hall '-P 2ybc'
_space_group.IT_number 14
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
Ge1 Ge 0.44769 0.92488 0.20378 0.97 1
Ge2 Ge 0.55025 1.22809 0.1728 0.94 1
Ge3 Ge 0.74819 0.91223 0.08802 1.16 1
Ge4 Ge 0.24464 1.15354 0.06335 1.04 1
B1 B 0.1081 0.9612 0.1391 0.87 1
B2 B -0.1137 1.1496 0.1183 0.95 1
O1 O 0.3987 1.2552 0.10543 1.39 1
O2 O 0.2047 0.8949 0.19389 1.29 1
O3 O 0.4995 1.087 0.21617 1.43 1
O4 O 0.7309 1.0752 0.08322 1.35 1
O5 O 0.0102 1.2084 0.06705 1.32 1
O6 O 0.5948 0.8484 0.14707 1.52 1
O7 O -0.0001 1.0703 0.16222 1.11 1
O8 O 0.7894 1.2503 0.15503 1.27 1
O9 O 0.5231 0.8528 0.27676 1.53 1
O10 O 0.9799 0.8662 0.10641 1.36 1
O11 O 0.2616 1.0002 0.09239 1.28 1
O12 O 0.3278 1.1651 -0.01695 1.61 1
N1 N -0.0725 0.6863 0.2192 1.97 1
H21A H -0.0451 0.6537 0.2583 2.37 1
H21B H -0.1804 0.732 0.2218 2.37 1
H21C H 0.0239 0.7362 0.2063 2.37 1
N2 N 0.2324 0.5697 0.1353 4.3 1
H21 H 0.3212 0.6164 0.1523 5.13 1
N3 N 0.2743 0.7516 0.0312 1.91 1
H31A H 0.1478 0.7659 0.0317 2.29 1
H31B H 0.3276 0.7946 -0.0017 2.29 1
H31C H 0.3257 0.7772 0.0689 2.29 1
C1 C -0.0992 0.5815 0.1714 2.42 1
H1A H -0.1294 0.6167 0.1288 2.92 1
H1B H -0.206 0.528 0.1849 2.92 1
C2 C 0.0836 0.5019 0.1671 2.87 1
H2A H 0.1255 0.4788 0.2108 3.47 1
H2B H 0.0568 0.424 0.1433 3.47 1
C3 C 0.1941 0.5376 0.0592 2.84 0.675
H3A H 0.2242 0.449 0.0504 3.47 0.675
H3B H 0.0597 0.5522 0.0484 3.47 0.675
C3' C 0.372 0.56 0.0907 2.68 0.325
H3A' H 0.407 0.471 0.0855 3.16 0.325
H3B' H 0.4854 0.6054 0.1061 3.16 0.325
C4 C 0.3098 0.6156 0.0225 3.88 1
H4A H 0.2917 0.5945 -0.0233 4.66 1
H4B H 0.4432 0.598 0.0334 4.66 1
# End of data for SU-16