#*********************************************************************************
#
# 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 and L.B. McCusker,
# Database of Zeolite Structures: http://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