#*********************************************************************************
#
# Crystallographic Information File for IST-1, as-made
#
# Reference :
# Jorda, J.L., McCusker, L.B., Baerlocher, Ch., Morais, C.M., Rocha, J., Fernandez, C., Borges, C., Lourenco, J.P., Ribeiro, M.F. and Gabelica, Z.
# Microporous Mesoporous Mat., 65, 43-57, (2003)
#
#
# 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_IST-1_as-made
_chemical_name_systematic 'IST-1, as-made'

_cell_length_a 9.6152
_cell_length_b 8.6702
_cell_length_c 16.2196
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P c a 21'
_symmetry_space_group_name_H-M 'P c a 21'
_symmetry_space_group_name_Hall 'P 2c -2ac'
_space_group.IT_number 29

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
Al1 Al 0.195 0.8346 0.3921 0.43 1
Al2 Al 0.0171 0.6502 0.104 0.43 1
Al3 Al 0.178 0.4521 0.3614 0.43 1
P1 P 0.038 0.3284 0.7909 0.43 1
P2 P 0.1877 0.5844 0.5345 0.43 1
P3 P 0.0259 0.1513 0.4455 0.43 1
O1 O 0.3738 0.896 0.4306 0.59 1
O2 O 0.147 0.732 0.4927 0.59 1
O3 O 0.0188 0.7988 0.3478 0.59 1
O4 O 0.1226 0.0127 0.4409 0.59 1
O5 O 0.2011 0.3396 0.8031 0.59 1
O6 O 0.974 0.4831 0.807 0.59 1
O7 O 0.0198 0.278 0.7014 0.59 1
O8 O -0.0371 0.789 0.0367 0.59 1
O9 O 0.1931 0.6098 0.0977 0.59 1
O10 O 0.94 0.4761 0.0856 0.59 1
O11 O 0.0676 0.276 0.3868 0.59 1
O12 O 0.2282 0.4627 0.4698 0.59 1
O13 O 0.2607 0.6465 0.3459 0.59 1.125
C1 C 0.1528 0.9036 0.7281 3.95 1.5
N1 N 0.2603 0.9621 0.7855 3.95 1.29
C2 C 0.1442 0.1472 0.1047 3.95 1.5
N2 N 0.1317 0.1829 0.0146 3.95 1.43
# End of data for IST-1_as-made