#*********************************************************************************
#
# Crystallographic Information File for ECNU-21
#
# Reference :
# Liu, X., Mao, W., Jiang, J., Lu, X., Peng, M., Xu, H., Han, L., Che, S. and Wu, P.
# Chem. Eur. J., 25, 4520-4529, (2019)
#
#
# 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-21
_chemical_name_systematic 'ECNU-21'

_cell_length_a 13.7419
_cell_length_b 17.166
_cell_length_c 5.0296
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'C 2 2 2'
_symmetry_space_group_name_H-M 'C 2 2 2'
_symmetry_space_group_name_Hall 'C 2 2'
_space_group.IT_number 21

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 0.208 0.334 0.979 3.3 0.019
Si1 Si 0.208 0.334 0.979 3.3 0.981
Ge2 Ge 0.2016 0.0908 0.47 3.3 0.032
Si2 Si 0.2016 0.0908 0.47 3.3 0.968
Si3 Si 0 0.1701 0.5 3.3 1
Ge4 Ge 0 0.2824 0 3.3 0.07
Si4 Si 0 0.2824 0 3.3 0.93
O01 O 0.2349 0.3639 0.687 2.5 1
O02 O 0.2444 0.1086 0.185 2.5 1
O03 O 0.0938 0.3364 0.029 2.5 1
O04 O 0.25 0.25 0.038 2.5 1
O05 O 0.011 0.2262 0.751 2.5 1
O06 O 0.2064 0 0.5 2.5 1
O07 O 0.0924 0.115 0.477 2.5 1
# End of data for ECNU-21