#*********************************************************************************
#
# Crystallographic Information File for ECNU-16
#
# Reference :
# Xu, L., Zhang, L., Li, J., Muraoka, K., Peng, F., Xu, H., Lin, C., Gao, Z., Jin-Gang Jiang, J.-G., Chaikittisilp, W., Sun, J., Okubo, T. and Wu, P.
# Chem. Eur. J. , 24, 9247-9253 , (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_ECNU-16
_chemical_name_systematic 'ECNU-16'

_cell_length_a 17.834
_cell_length_b 15.126
_cell_length_c 10.671
_cell_angle_alpha 90
_cell_angle_beta 108.556
_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
Si1 Si 0.3822004 0.1054097 0.2089614 1.05312 0.223412
Ge1 Ge 0.3822004 0.1054097 0.2089614 1.05312 0.776588
Si2 Si 0.1300498 0.394705 0.0992525 1.05312 0.4098228
Ge2 Ge 0.1300498 0.394705 0.0992525 1.05312 0.5901772
Si3 Si 0.3183859 0.3942604 0.1780381 1.05312 0.4296196
Ge3 Ge 0.3183859 0.3942604 0.1780381 1.05312 0.5703804
Si4 Si 0.192022 0.1040179 0.1249142 1.05312 0.7386936
Ge4 Ge 0.192022 0.1040179 0.1249142 1.05312 0.2613064
Si5 Si 0.4574592 0.2751634 0.3471828 1.05312 0.9
Ge5 Ge 0.4574592 0.2751634 0.3471828 1.05312 0.1
Si6 Si 0.05779186 0.2251803 0.1531457 1.05312 0.7206998
Ge6 Ge 0.05779186 0.2251803 0.1531457 1.05312 0.2793002
O7 O 0.4410297 0.1693553 0.333076 1.263744 1
O8 O 0.3247422 0.3670845 0.0300602 1.263744 1
O9 O 0.1403838 0.1693543 0.1867457 1.263744 1
O10 O 0.2865308 0.1146033 0.2066991 1.263744 1
O11 O 0.07806405 0.3312178 0.1699984 1.263744 1
O12 O 0.3900304 0.1363861 0.06034235 1.263744 1
O13 O 0.2258275 0.3825724 0.1782169 1.263744 1
O14 O 0.3752395 0.3279284 0.2937868 1.263744 1
O15 O 0.01228005 0.1970489 0.2584878 1.263744 1
O16 O 0 0.199257 0.5 1.516493 1
O17 O 0.4126839 0 0.2388681 1.516493 1
O18 O 0.1646735 0 0.1325886 1.516493 1
O19 O 0.15309 0 0.7891148 1.516493 1
O20 O 0.6041088 0 0.107691 1.516493 1
O21 O 0 0.2042365 0 1.516493 1
F1 F -0.22687 0.5 1 10 1
N1 N 1.292037 -0.1836374 -0.4918166 2.00146 0.25
C2 C 1.219197 -0.1552234 -0.5598575 2.00146 0.25
C3 C 1.220824 -0.06450174 -0.5648774 2.00146 0.25
N4 N 1.294655 -0.03745529 -0.4994658 2.00146 0.25
C5 C 1.337012 -0.1110666 -0.4562498 2.00146 0.25
C6 C 1.316773 -0.2748363 -0.4633826 2.00146 0.25
C7 C 1.323303 0.05323799 -0.4818854 2.00146 0.25
C8 C 1.24985 0.1184038 -0.5119373 2.00146 0.25
C9 C 1.274475 0.2177069 -0.5096122 2.00146 0.25
C10 C 1.213406 0.2804687 -0.4713486 2.00146 0.25
N11 N 1.239661 0.3752882 -0.4750178 2.00146 0.25
C12 C 1.20626 0.4524536 -0.4791197 2.00146 0.25
C13 C 1.260289 0.516351 -0.4827965 2.00146 0.25
N14 N 1.328208 0.4775475 -0.4814076 2.00146 0.25
C15 C 1.310594 0.4033027 -0.4774647 2.00146 0.25
C16 C 1.400159 0.5208045 -0.484672 2.00146 0.25
H17 H 1.168745 -0.1972462 -0.6028563 2.00146 0.25
H18 H 1.171833 -0.02159399 -0.6127388 2.00146 0.25
H19 H 1.399204 -0.1117456 -0.4006906 2.00146 0.25
H20 H 1.282254 -0.3060152 -0.4056762 2.00146 0.25
H21 H 1.306644 -0.3114375 -0.5570101 2.00146 0.25
H22 H 1.380355 -0.2782871 -0.4055939 2.00146 0.25
H23 H 1.367985 0.06114029 -0.3831041 2.00146 0.25
H24 H 1.359643 0.060513 -0.5481455 2.00146 0.25
H25 H 1.209677 0.1040471 -0.6127102 2.00146 0.25
H26 H 1.216228 0.1025072 -0.4437324 2.00146 0.25
H27 H 1.339943 0.2191508 -0.4729682 2.00146 0.25
H28 H 1.267462 0.2248403 -0.6160133 2.00146 0.25
H29 H 1.14644 0.463188 -0.4795663 2.00146 0.25
H30 H 1.251052 0.5868366 -0.4865586 2.00146 0.25
H31 H 1.358994 0.36027 -0.476408 2.00146 0.25
H32 H 1.414688 0.4991089 -0.5731612 2.00146 0.25
H33 H 1.392648 0.5934315 -0.4883189 2.00146 0.25
H34 H 1.449409 0.5032214 -0.3950091 2.00146 0.25
H35 H 1.152595 0.2677882 -0.537253 2.00146 0.25
H36 H 1.208915 0.2739765 -0.3705752 2.00146 0.25
# End of data for ECNU-16