#*********************************************************************************
#
# Crystallographic Information File for PST-21 
#
# Reference : 
#   Jo, D., Park, G.T., Shin, J. and Hong, S.B.
#   Angew. Chem. Int. Ed., 57, 2199-2203, (2018)
#
#
# 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_PST-21
_chemical_name_systematic 'PST-21'

_cell_length_a      9.1017
_cell_length_b      11.7322
_cell_length_c      10.9595 
_cell_angle_alpha   90 
_cell_angle_beta    93.2282 
_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
Si1  Si  0.1615  0.403  0.2228  2.14  1
Si2  Si  0.0853  0.8288  0.4682  2.14  1
Si3  Si  0.1441  0.1651  0.3245  2.14  1
Si4  Si  0.3236  0.4872  0.0038  2.14  1
Si5  Si  0.0459  0.582  0.391  2.14  1
O1  O  0.1576  0.5164  0.3057  2.9  1
O2  O  0.0041  0.3849  0.1487  2.9  1
O3  O  0.2007  0.2949  0.3105  2.9  1
O4  O  0.2891  0.4203  0.1277  2.9  1
O5  O  0.7571  0.3905  0.005  2.9  1
O6  O  0.0037  0.1604  0.4084  2.9  1
O7  O  0.1247  0.6969  0.4428  2.9  1
O8  O  0.2758  0.0878  0.3845  2.9  1
O9  O  0.102  0.1136  0.1902  2.9  1
O10  O  0.5  0  0.5  2.9  1
O11  O  0  0  0  2.9  1
Ow1  O  0.515  0.179  0.1657  4.66  0.421
Ow2  O  0.7637  0.2554  0.3149  4.66  0.388
Ow3  O  0.435  1.0352  0.0689  4.66  0.411
Ow4  O  0.4428  0.8559  0.1602  4.66  0.5

# End of data for PST-21