#*********************************************************************************
#
# Crystallographic Information File for PST-30 
#
# Reference : 
#   Jo, D. and Hong, S.B.
#   Angew. Chem. Int. Ed., 58, 13845-13848, (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_PST-30
_chemical_name_systematic 'PST-30'

_cell_length_a      7.1348
_cell_length_b      9.1207
_cell_length_c      9.1051 
_cell_angle_alpha   84.28 
_cell_angle_beta    83.35 
_cell_angle_gamma   87.83
_cell_formula_units_Z   1

_space_group.name_H-M_ref   'P-1'
_symmetry_space_group_name_H-M   'P-1'
_symmetry_space_group_name_Hall  ''
_space_group.IT_number   

 
 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  0.6502  0.3462  0.1505  1.81  1
Si2  Si  0.2394  0.3913  0.0903  1.81  1
Si3  Si  0.0388  0.8254  0.0153  1.81  1
Si4  Si  0.0467  0.6211  0.3026  1.81  1
Si5  Si  0.2894  0.5522  0.5513  1.81  1
O1  O  0.7101  0.3438  0.3157  2.62  1
O2  O  0.7072  0.5021  0.059  2.62  1
O3  O  0.758  0.2137  0.0692  2.62  1
O4  O  0.1138  0.4831  0.2098  2.62  1
O5  O  0.1217  0.2551  0.0542  2.62  1
O6  O  0.0338  0.7674  0.1895  2.62  1
O7  O  0.1593  0.4115  0.6087  2.62  1
O8  O  0.197  0.6432  0.4158  2.62  1
O9  O  0.4272  0.3285  0.1584  2.62  1
O10  O  0  0  0  2.62  1
O11  O  0.5  0.5  0.5  2.62  1
Ow1  O  0.4763  0.9257  0.2286  6.3  0.572
Ow2  O  0.0894  0.0481  0.4235  6.3  0.416
Ow3  O  0.3467  0.001  0.5332  6.3  0.554

# End of data for PST-30