#*********************************************************************************
#
# 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, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://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