#*********************************************************************************
#
# Crystallographic Information File for STA-6
#
# Reference :
# Patinec, V., Wright, P.A., Lightfoot, P., Aitken, R.A. and Cox, P.A.
# J. Chem. Soc., Dalton Trans., , 3909-3911, (1999)
#
#
# 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_STA-6
_chemical_name_systematic 'STA-6'

_cell_length_a 14.322
_cell_length_b 14.322
_cell_length_c 10.424
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P 4/m n c'
_symmetry_space_group_name_H-M 'P 4/m n c'
_symmetry_space_group_name_Hall '-P 4 2n'
_space_group.IT_number 128

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 0.2689 0.1091 0 1.66 0.85
Al2 Al 0.3907 0.8907 0.75 2.45 0.85
Mg1 Mg 0.2689 0.1091 0 1.66 0.15
Mg2 Mg 0.3907 0.8907 0.75 2.45 0.15
P1 P 0.6101 0.8899 0.75 2.45 1
P2 P 0.2666 0.8863 0 1.89 1
O1 O 0.2414 0.9886 0 3 1
O2 O 0.3209 0.8603 0.8826 3.87 1
O3 O 0.5093 0.8722 0.7865 3.87 1
O4 O 0.175 0.8339 0 3.4 1
O5 O 0.6683 0.8619 0.8614 5.05 1
N1 N 0.5595 0.6718 0.0547 23.7 0.09
N2 N 0.5368 0.3621 0 23.7 0.09
N3 N 0.4221 0.5146 0.2956 23.7 0.09
N4 N 0.4938 0.5105 0.7902 23.7 0.09
C1 C 0.4937 0.7371 1 23.7 0.09
C2 C 0.6187 0.3376 0.0918 23.7 0.09
C3 C 0.4966 0.4748 0.3812 23.7 0.09
C4 C 0.4092 0.5505 0.7258 23.7 0.09
C5 C 0.4451 0.32 0.0477 23.7 0.09
C6 C 0.4066 0.348 0.1815 23.7 0.09
C7 C 0.3685 0.4473 0.2101 23.7 0.09
C8 C 0.4508 0.605 0.2332 23.7 0.09
C9 C 0.5145 0.5906 0.1159 23.7 0.09
C10 C 0.646 0.6501 0.9782 23.7 0.09
C11 C 0.648 0.5692 0.8802 23.7 0.09
C12 C 0.581 0.5662 0.7643 23.7 0.09
C13 C 0.5025 0.4061 0.7672 23.7 0.09
C14 C 0.5593 0.3481 0.8665 23.7 0.09
# End of data for STA-6